SCHEMBL8207617

SCHEMBL8207617

CCCc1nc(C(O)CC)c(C(=O)O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.60
AGTR1 P30556 1/20 0.50

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
SCHEMBL2578611 0.83 AGTR1 (0.67) PPARGAGTR1
SCHEMBL94599 0.80 AGTR1 (0.56) AGTR1
SCHEMBL5328080 0.79 PPARG (0.61) PPARGAGTR1
SCHEMBL1417546 0.79 AGTR1 (0.61) PPARGAGTR1
SCHEMBL12349095 0.78 PPARG (0.60) PPARGAGTR1
SCHEMBL13277712 0.78 PPARG (0.52) PPARGAGTR1
SCHEMBL8003999 0.77 PPARG (0.72) PPARGAGTR1
SCHEMBL31062488 0.77 AGTR1 (0.60) PPARGAGTR1
SCHEMBL1888964 0.77 PPARG (0.64) PPARGAGTR1
SCHEMBL12993894 0.77 PPARG (0.61) PPARGAGTR1

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-6040454-A REACTING 1-(CYANOBIPHENYLMETHYL)IMIDAZOLE DERIVATIVE WITH AN ALKALI OR ALKALINE EARTH METAL AZIDE SALT IN AN AROMATIC HYDROCARBON SOLVENT IN PRESENCE OF AN AMINE SALT TOYO KASEI KOGYO COMPANY LIMITED (JP) 2000-03-21 US disclosed