SCHEMBL7654737

SCHEMBL7654737

[CH2]CCCCc1ccc(CCC)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.38
LIPG Q9Y5X9 1/20 0.38
CNR1 P21554 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
SLC22A12 Q96S37 2/20 0.35
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL7653189 0.98 LIPG (0.41) CNR2LIPGCNR1KDM4EALDH1A1
SCHEMBL7653475 0.94 CNR2 (0.39) CNR2LIPGCNR1KDM4EALDH1A1
SCHEMBL7655901 0.86 CNR2 (0.40) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL7648157 0.86 LIPG (0.46) LIPG
SCHEMBL7649388 0.84 LIPG (0.48) LIPG
SCHEMBL30537733 0.83 KDM4E (0.46) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL798769 0.83 KDM4E (0.46) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL7648088 0.83 CYP1A2 (0.48) CNR2ALDH1A1CYP3A4
SCHEMBL7654487 0.82 CNR2 (0.40) CNR2CNR1KDM4EALDH1A1GAA
SCHEMBL7650731 0.81 CYP1A2 (0.46) CNR2LIPGALDH1A1MAPTCYP3A4

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
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed