SCHEMBL11023658

SCHEMBL11023658

CCCOCCOc1cccc2cc(C#N)c(=O)oc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CNR2 P34972 7/20 0.47
ADORA3 P0DMS8 6/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
GLA P06280 1/20 0.44
GPR35 Q9HC97 3/20 0.41
RXFP1 Q9HBX9 1/20 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
SCHEMBL11144215 0.95 CNR2 (0.45) CA12CA1CA2CA9CNR2
SCHEMBL11019885 0.93 CNR2 (0.53) CA12CA1CA2CA9CNR2
SCHEMBL11020606 0.93 CA12 (0.51) CA12CA1CA2CA9CNR2
SCHEMBL11153000 0.93 CNR2 (0.50) CA12CA1CA2CA9CNR2
SCHEMBL11018894 0.92 ADORA3 (0.49) CA12CA1CA2CA9CNR2
SCHEMBL11150783 0.89 CNR2 (0.57) CA12CA1CA2CA9CNR2
Butoxyethanol SCHEMBL11142531 0.88 CNR2 (0.51) CA12CA1CA2CA9CNR2
SCHEMBL11154728 0.88 CNR2 (0.54) CA12CA1CA2CA9CNR2
Diethylene Glycol Monoethyl Ether SCHEMBL11144297 0.88 ADORA3 (0.47) CA12CA1CA2CA9CNR2
SCHEMBL11155367 0.87 CNR2 (0.53) CA12CA1CA2CA9CNR2

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-0039913-B1 TETRAZOLYLCOUMARIN DERIVATIVES, PROCESS FOR PREPARING THE SAME AND COMPOSITION CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1985-01-23 EP disclosed
US-4406908-A Tetrazolylcoumarin derivatives and antiallergic compositions containing the same KAKENYAKU KAKO CO., LTD. (JP) 1983-09-27 US disclosed
EP-0039913-A1 Tetrazolylcoumarin derivatives, process for preparing the same and composition containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1981-11-18 EP disclosed