SCHEMBL6818455

SCHEMBL6818455

CCCCCOc1ccccc1-c1cc(C(=O)O)no1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.69
FAAH O00519 2/20 0.67
CYP1A2 P05177 1/20 0.52
CYP19A1 P11511 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
ALOX15 P16050 1/20 0.52
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
PTPN11 Q06124 1/20 0.49

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
SCHEMBL6813643 0.99 CNR2 (0.68) CNR2FAAHCYP1A2CYP19A1CYP2C9
SCHEMBL92482 0.96 CNR2 (0.64) CNR2FAAHCYP1A2CYP19A1CYP2C9
SCHEMBL6819489 0.88 CNR2 (0.54) CNR2FAAHHPGDHSD17B10ALDH1A1
SCHEMBL6815937 0.87 ALDH1A1 (0.59) CNR2FAAHHPGDHSD17B10ALDH1A1
SCHEMBL6818280 0.87 CNR2 (0.66) CNR2FAAHCYP1A2CYP19A1CYP2C9
SCHEMBL6819488 0.86 CNR2 (0.53) CNR2FAAHHPGDHSD17B10ALDH1A1
SCHEMBL6819086 0.86 CNR2 (0.64) CNR2FAAHCYP1A2CYP19A1CYP2C9
SCHEMBL6818570 0.85 CNR2 (0.53) CNR2FAAHHPGDHSD17B10ALDH1A1
SCHEMBL6823570 0.83 CNR2 (0.56) CNR2FAAHPTPN11
SCHEMBL6814645 0.82 ALDH1A1 (0.52) CNR2FAAHHPGDHSD17B10ALDH1A1

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