SCHEMBL6206675

SCHEMBL6206675

Cc1cccc(C)c1N(C(=O)Cc1ccccc1)[C@@H](C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PLA2G1B P04054 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 1/20 0.40
CNR2 P34972 1/20 0.39
GAA P10253 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6912255 1.00 TRPM8 (0.52) TRPM8SMN1; SMN2MEN1KMT2APLA2G1B
SCHEMBL6949925 1.00 TRPM8 (0.52) TRPM8SMN1; SMN2MEN1KMT2APLA2G1B
SCHEMBL13472597 0.89 TRPM8 (0.56) TRPM8SMN1; SMN2MEN1KMT2APLA2G1B
SCHEMBL8415552 0.87 RORC (0.50) TRPM8SMN1; SMN2MEN1KMT2APLA2G1B
SCHEMBL11108635 0.87 RORC (0.50) TRPM8SMN1; SMN2MEN1KMT2APLA2G1B
Benalaxyl SCHEMBL54808 0.86 KMT2A (0.61) TRPM8SMN1; SMN2MEN1KMT2APLA2G1B
Benalaxyl SCHEMBL21674 0.86 KMT2A (0.61) TRPM8SMN1; SMN2MEN1KMT2APLA2G1B
Benalaxyl SCHEMBL8818251 0.86 KMT2A (0.61) TRPM8SMN1; SMN2MEN1KMT2APLA2G1B
Benalaxyl SCHEMBL2528870 0.86 KMT2A (0.61) TRPM8SMN1; SMN2MEN1KMT2APLA2G1B
Benalaxyl SCHEMBL41642 0.86 KMT2A (0.61) TRPM8SMN1; SMN2MEN1KMT2APLA2G1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979034-B1 COMPOSITION FOR CONTROLLING HARMFUL BIO-ORGANISMS AND METHOD FOR CONTROLLING HARMFUL BIO-ORGANISMS USING THE SAME ISHIHARA SANGYO KAISHA (JP) 2003-02-26 EP claimed
EP-0946093-B1 FUNGICIDAL COMPOSITIONS BASED ON (N-PHENYLACETYL-N-2,6-XYLYL)METHYL ALANINATE ISAGRO SPA (IT) 2002-08-28 EP claimed
EP-0337103-B1 BIOCIDAL COMPOSITION ISHIHARA SANGYO KAISHA, Ltd. (JP) 1993-02-10 EP claimed
EP-1504009-A1 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND AGENTS CONTAINING SAID FUNGICIDAL TRIAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2005-02-09 EP disclosed
EP-1406903-A2 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN CONTROLLING NOXIOUS FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-04-14 EP disclosed
EP-1028125-B1 Dipeptide compounds having fungicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2004-01-28 EP disclosed
WO-2003093271-A1 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND AGENTS CONTAINING SAID FUNGICIDAL TRIAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-11-13 WO disclosed
WO-2003004465-A2 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF IN CONTROLLING NOXIOUS FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-16 WO disclosed
EP-1257172-A2 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-11-20 EP disclosed
US-6448228-B1 FUNCTIONALIZED OLIGOPEPTIDE HAVING HIGH FUNGICIDAL ACTIVITY; ONE OR TWO ALIPHATIC AMINO ACIDS SUCH AS VALINE, LEUCINE AND ISOLEUCINE, CONJUGATED TO ONE OR TWO AROMATIC AMINO ACIDS, SUCH AS PHENYL-GLYCINE, PHENYLALANINE AND BETA-PHENYLALANINE ISAGRO RICERCA S.R.L. (IT) 2002-09-10 US disclosed
EP-1212291-A1 CYCLOPROPANE CARBOXYLIC ACID AMIDES, THE PRODUCTION AND THE USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-1997014693-A1 PHENYL BENZYL ETHERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDE AND FUNGICIDE BASF AKTIENGESELLSCHAFT (DE) 1997-04-24 WO disclosed
WO-1997013746-A1 PHENYLACETIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-04-17 WO disclosed
WO-1997013747-A1 OXYAMINO OXIME ETHERS, METHODS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION, AND AGENTS CONTAINING THEM AND USED FOR CONTROLLING HARMFUL FUNGI AND PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-17 WO disclosed
WO-1997005103-A1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS PARASITICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed
WO-1996037477-A1 AZOLYL OXYBENZYL ALKOXYACRYLIC ACID ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
WO-1996037480-A1 2-[2-(HETARYL OXYMETHYLENE)PHENYL] CROTONATES USED AS PESTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
EP-0738259-A1 PHENYL ACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1996-10-23 EP disclosed
WO-1996016047-A1 2-[(2-ALKOXY-6-TRIFLUOROMETHYL PYRIMIDINE-4-YL)-OXYMETHYLENE]-PHENYL-ACETIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-05-30 WO disclosed
WO-1996016030-A1 IMINOOXYMETHYLENE ANILIDES, PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING THE SAME AND PESTICIDES CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 1996-05-30 WO disclosed