SCHEMBL11020948

SCHEMBL11020948

CC(C)COCCOc1cccc2cc(C#N)c(=O)oc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.45
GPR35 Q9HC97 3/20 0.41
ADORA3 P0DMS8 7/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GLA P06280 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL11146902 0.95 CNR2 (0.44) CNR2GPR35ADORA3ADORA2AADORA1
SCHEMBL11018894 0.87 ADORA3 (0.49) CNR2GPR35ADORA3ADORA2AADORA1
SCHEMBL11152797 0.87 CNR2 (0.47) CNR2GPR35ADORA3ADORA2AADORA1
SCHEMBL11020606 0.86 CA12 (0.51) CNR2GPR35ADORA3ADORA2AADORA1
SCHEMBL11023658 0.86 CA12 (0.48) CNR2GPR35ADORA3ADORA2AADORA1
SCHEMBL11020844 0.86 CNR2 (0.47) CNR2GPR35ADORA3ADORA2AADORA1
SCHEMBL11021119 0.85 CNR2 (0.47) CNR2GPR35ADORA3ADORA2AADORA1
SCHEMBL11019885 0.84 CNR2 (0.53) CNR2GPR35ADORA3ADORA2AADORA1
SCHEMBL11153000 0.83 CNR2 (0.50) CNR2GPR35ADORA3ADORA2AADORA1
2-Ethoxyethanol SCHEMBL11140299 0.83 ADORA3 (0.47) CNR2ADORA3ADORA2AADORA1CA12

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