SCHEMBL6818280

SCHEMBL6818280

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.66
FAAH O00519 2/20 0.63
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 2/20 0.49
NPC1 O15118 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL6819086 0.99 CNR2 (0.64) CNR2FAAHMAPTALDH1A1THRB
SCHEMBL6818513 0.89 MAPT (0.54) CNR2FAAHMAPTALDH1A1THRB
SCHEMBL6813770 0.89 MAPT (0.57) CNR2FAAHMAPTALDH1A1THRB
SCHEMBL6819659 0.87 CNR2 (0.51) CNR2FAAHMAPTALDH1A1THRB
SCHEMBL6818455 0.87 CNR2 (0.69) CNR2FAAHALDH1A1HPGDRAB9A
SCHEMBL7072565 0.86 ALDH1A1 (0.53) CNR2FAAHMAPTALDH1A1THRB
SCHEMBL6818115 0.86 CNR2 (0.51) CNR2FAAHMAPTALDH1A1THRB
SCHEMBL6813643 0.86 CNR2 (0.68) CNR2FAAHALDH1A1HPGDRAB9A
SCHEMBL22619918 0.84 RAB9A (0.67) MAPTALDH1A1THRBHPGDRAB9A
SCHEMBL6818227 0.84 MAPT (0.50) CNR2FAAHMAPTALDH1A1THRB

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