SCHEMBL29079408

SCHEMBL29079408

CCCc1ccc(O)c(C(Cl)Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.58
CNR2 P34972 1/20 0.58
ALOX5 P09917 3/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MCL1 Q07820 1/20 0.41
IAPP P10997 3/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL29079423 0.89 HPGD (0.50) CNR1CNR2CYP3A4HIF1AHSD17B10
SCHEMBL29079420 0.88 KAT8 (0.53) CYP3A4HIF1AHSD17B10KDM4EIGF1R
SCHEMBL29079407 0.86 KAT8 (0.55) CYP3A4HIF1AHSD17B10KDM4EIGF1R
SCHEMBL29079439 0.86 KAT8 (0.55) CYP3A4HIF1AHSD17B10KDM4EIGF1R
SCHEMBL29079432 0.86 KAT8 (0.55) CYP3A4HIF1AHSD17B10KDM4EIGF1R
SCHEMBL29079440 0.85 TRPA1 (0.57) CNR1CNR2ALOX5CYP3A4CYP2D6
SCHEMBL51014 0.83 CNR1 (0.60) CNR1CNR2ALOX5CYP3A4CYP2D6
SCHEMBL1860686 0.83 CNR1 (0.60) CNR1CNR2ALOX5CYP3A4CYP2D6
SCHEMBL21295932 0.83 CNR1 (0.60) CNR1CNR2ALOX5CYP3A4CYP2D6
SCHEMBL918000 0.81 CNR1 (0.58) CNR1CNR2ALOX5CYP3A4CYP2D6

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
CN-116813900-A Double-end hydroxyl low molecular weight polyphenyl ether and synthesis method thereof 北京赛福瑞技术服务有限公司 2023-09-29 CN disclosed