SCHEMBL9254418

SCHEMBL9254418

CC(=O)C(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
AGTR1 P30556 3/20 0.35
BRS3 P32247 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
SCHEMBL8315967 0.84 AGTR1 (0.40) PPARGPPARAAGTR1BRS3
SCHEMBL19222672 0.83 S1PR1 (0.39)
SCHEMBL9251535 0.81 MMP8 (0.39) AGTR1
SCHEMBL1773521 0.80 FYN (0.39) AGTR1
SCHEMBL12600305 0.79 AGTR1 (0.35) AGTR1
SCHEMBL7311411 0.79 AGTR1 (0.41) AGTR1BRS3
SCHEMBL7355960 0.79 MMP2 (0.35) PPARGPPARAAGTR1BRS3
SCHEMBL6955822 0.78 TP53 (0.41) AGTR1
SCHEMBL6962635 0.78 AKT1 (0.36) AGTR1
SCHEMBL6956494 0.77 TDP1 (0.40) BRS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed