SCHEMBL11155367

SCHEMBL11155367

CCCCCCOc1cccc2cc(C#N)c(=O)oc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.53
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
ADORA3 P0DMS8 6/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
GLA P06280 1/20 0.44
F2RL3 Q96RI0 2/20 0.44
GPR35 Q9HC97 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL11157233 1.00 CNR2 (0.53) CNR2ALDH1A1HPGDADORA3CA12
SCHEMBL11154382 1.00 CNR2 (0.53) CNR2ALDH1A1HPGDADORA3CA12
SCHEMBL11152270 1.00 CNR2 (0.53) CNR2ALDH1A1HPGDADORA3CA12
SCHEMBL11157229 1.00 CNR2 (0.53) CNR2ALDH1A1HPGDADORA3CA12
SCHEMBL11155437 1.00 CNR2 (0.53) CNR2ALDH1A1HPGDADORA3CA12
SCHEMBL11154728 0.99 CNR2 (0.54) CNR2ALDH1A1HPGDADORA3CA12
SCHEMBL11150783 0.95 CNR2 (0.57) CNR2ADORA3CA12CA1CA2
SCHEMBL11153000 0.91 CNR2 (0.50) CNR2ADORA3CA12CA1CA2
SCHEMBL11019885 0.90 CNR2 (0.53) CNR2ADORA3CA12CA1CA2
SCHEMBL11020515 0.89 ADORA3 (0.48) CNR2ADORA3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0011839-B1 COUMARIN DERIVATIVES, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1983-02-16 EP disclosed
US-4363812-A 3-(Tetrazol-5-yl), 4-methyl-8-alkoxy coumarins and anti-allergic compositions thereof KAKENYAKU KAKO CO., LTD. (JP) 1982-12-14 US disclosed
EP-0011839-A1 Coumarin derivatives, process for preparing the same and pharmaceutical composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1980-06-11 EP disclosed