SCHEMBL6912255

SCHEMBL6912255

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
SCHEMBL6206675 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976826-B1 ORGANIC DERIVATIVES, THEIR SALTS AND USE FOR THE CONTROL OF PHYTOPATHOGENS BELCHIM CROP PROT LUXEMBOURG S À R L (LU) 2016-10-19 EP claimed
EP-1028125-B1 Dipeptide compounds having fungicidal activity and their agronomic use ISAGRO RICERCA SRL (IT) 2004-01-28 EP claimed