SCHEMBL8060779

SCHEMBL8060779

COC(=O)N(C(C)c1cc2cc(Cl)ccc2o1)[C@H](C(N)=O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
KDM4E B2RXH2 5/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAOB P27338 2/20 0.38
MMP2 P08253 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GPR35 Q9HC97 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8896867 0.90 ALOX5 (0.58) ALOX5KDM4ETAS1R3TAS1R1SMN1; SMN2
SCHEMBL8896909 0.86 ALOX5 (0.54) ALOX5KDM4ETAS1R3TAS1R1SMN1; SMN2
SCHEMBL8896191 0.86 ALOX5 (0.53) ALOX5KDM4ETAS1R3TAS1R1SMN1; SMN2
SCHEMBL8897167 0.80 ALOX5 (0.54) ALOX5KDM4ESMN1; SMN2HSD17B10MAOB
SCHEMBL8896743 0.77 ALOX5 (0.41) ALOX5KDM4ETAS1R3TAS1R1MAOB
SCHEMBL2395181 0.74 ALOX5 (1.00) ALOX5KDM4ESMN1; SMN2HSD17B10MAOB
SCHEMBL8498814 0.72 ALOX5 (0.56) ALOX5KDM4ETAS1R3TAS1R1SMN1; SMN2
SCHEMBL16595672 0.69 ALOX5 (0.52) ALOX5KDM4ETAS1R3TAS1R1SMN1; SMN2
SCHEMBL11346189 0.68 ALOX5 (0.57) ALOX5KDM4ETAS1R3TAS1R1SMN1; SMN2
SCHEMBL8896525 0.68 ALOX5 (0.51) ALOX5KDM4ETAS1R3TAS1R1SMN1; SMN2

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-0775696-B1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-07-19 EP disclosed
EP-0775696-A1 AMINO ACID AMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AGROHORTICULTURAL FUNGICIDE, AND FUNGICIDAL METHOD KumaiI Chemical Industry Co., Ltd. (JP) 1997-05-28 EP disclosed