SCHEMBL11146902

SCHEMBL11146902

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.44
ADORA3 P0DMS8 5/20 0.40
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GPR35 Q9HC97 4/20 0.38
GLA P06280 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11020948 0.95 CNR2 (0.45) CNR2ADORA3ADORA2AADORA1CA12
2-Ethoxyethanol SCHEMBL11140299 0.89 ADORA3 (0.47) CNR2ADORA3ADORA2AADORA1CA12
SCHEMBL11144215 0.88 CNR2 (0.45) CNR2ADORA3ADORA2AADORA1CA12
Diethylene Glycol Monoethyl Ether SCHEMBL11144297 0.88 ADORA3 (0.47) CNR2ADORA3ADORA2AADORA1CA12
Butoxyethanol SCHEMBL11142531 0.86 CNR2 (0.51) CNR2ADORA3ADORA2AADORA1CA12
SCHEMBL11145327 0.86 CNR2 (0.45) CNR2ADORA3ADORA2AADORA1CA12
2-Methoxyethanol SCHEMBL11144253 0.84 CNR2 (0.45) CNR2ADORA3ADORA2AADORA1CA12
SCHEMBL11140436 0.84 KDM4E (0.38) CNR2ADORA3ADORA2AADORA1CA12
SCHEMBL11152797 0.83 CNR2 (0.47) CNR2ADORA3ADORA2AADORA1CA12
SCHEMBL11018894 0.83 ADORA3 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4406908-A Tetrazolylcoumarin derivatives and antiallergic compositions containing the same KAKENYAKU KAKO CO., LTD. (JP) 1983-09-27 US disclosed