SCHEMBL9260581

SCHEMBL9260581

CCCc1nc2cc(C(=O)O)nn2c(O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.42
AGTR1 P30556 3/20 0.41
AGTR2 P50052 2/20 0.41
XDH P47989 1/20 0.39
GRIA2 P42262 1/20 0.38
GRIA4 P48058 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
SCHEMBL9262393 0.88 PPARG (0.45) PPARGAGTR1AGTR2
SCHEMBL9262547 0.88 PPARG (0.44) PPARG
SCHEMBL7312739 0.82 PPARG (0.45) PPARG
SCHEMBL9258137 0.80 PPARG (0.45) PPARG
Hydrochloric Acid SCHEMBL7322883 0.79 PPARG (0.44) PPARG
Hydrochloric Acid SCHEMBL9251001 0.79 PPARG (0.44) PPARG
SCHEMBL9254550 0.79 PPARG (0.43) PPARGAGTR1AGTR2
SCHEMBL9253637 0.79 PPARG (0.43) PPARGAGTR1AGTR2
SCHEMBL7313334 0.78 PPARG (0.44) PPARG
SCHEMBL9257925 0.77 PPARG (0.41) PPARGAGTR1AGTR2

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-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed