SCHEMBL9168337

SCHEMBL9168337

CCCc1nc2c(n1Cc1ccc(-c3ccccc3C(=O)O)cc1)C(=O)OC2(C)C

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.65
AGTR1 P30556 1/20 0.58
AGTR2 P50052 1/20 0.58

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
SCHEMBL9285645 0.84 PPARG (0.64) PPARGAGTR1AGTR2
SCHEMBL28399163 0.80 AGTR2 (0.47) AGTR1AGTR2
SCHEMBL3339360 0.79 PPARG (0.41) PPARGAGTR1AGTR2
SCHEMBL8396958 0.79 PPARG (1.00) PPARGAGTR1AGTR2
SCHEMBL683751 0.78 AGTR1 (0.67) PPARGAGTR1AGTR2
SCHEMBL683762 0.77 AGTR1 (0.66) PPARGAGTR1AGTR2
SCHEMBL29833187 0.77 PPARG (0.70) PPARG
SCHEMBL29833188 0.77 PPARG (0.70) PPARG
SCHEMBL671 0.77 PPARG (0.67) PPARG
SCHEMBL9853648 0.76 PPARG (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389660-A Hypotensive agents MERCK & CO., INC. (US) 1995-02-14 US disclosed
US-5164407-A Hypotensive agents MERCK & CO., INC. (US) 1992-11-17 US disclosed