SCHEMBL6818318

SCHEMBL6818318

CCCCCOc1ccccc1-c1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)no1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.56
FAAH O00519 2/20 0.56
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
PTPN1 P18031 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.44
PLK1 P53350 1/20 0.43

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
SCHEMBL6818527 0.99 CNR2 (0.56) CNR2FAAHMEN1ALDH1A1HPGD
SCHEMBL6814173 0.92 CNR2 (0.47) CNR2FAAHMEN1ALDH1A1HPGD
SCHEMBL6817920 0.91 HSD17B10 (0.46) CNR2FAAHMEN1ALDH1A1HPGD
SCHEMBL6817818 0.91 HSD17B10 (0.49) CNR2FAAHMEN1ALDH1A1HPGD
SCHEMBL6818409 0.90 CNR2 (0.46) CNR2FAAHMEN1ALDH1A1HPGD
SCHEMBL6814133 0.88 HSD17B10 (0.47) CNR2FAAHMEN1ALDH1A1HPGD
SCHEMBL6819126 0.87 HSD17B10 (0.48) MEN1ALDH1A1HPGDKMT2AHSD17B10
SCHEMBL6817690 0.87 HSD17B10 (0.62) MEN1ALDH1A1HPGDKMT2AHSD17B10
SCHEMBL6814059 0.86 HSD17B10 (0.43) CNR2FAAHMEN1ALDH1A1HPGD
SCHEMBL6818858 0.85 HSD17B10 (0.45) MEN1ALDH1A1HPGDKMT2AHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed