SCHEMBL1928982

SCHEMBL1928982

CCCc1cc(C(=O)NC(CS)Cc2ccccc2)nn1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.49
AGTR1 P30556 7/20 0.48
MME P08473 5/20 0.48
AGTR2 P50052 3/20 0.44

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
SCHEMBL653074 1.00 PPARG (0.49) PPARGAGTR1MMEAGTR2
SCHEMBL651920 0.89 MME (0.48) PPARGAGTR1MMEAGTR2
SCHEMBL651961 0.86 AGTR2 (0.42) AGTR1MMEAGTR2
SCHEMBL652532 0.86 MME (0.40) AGTR1MME
SCHEMBL654691 0.86 PPARG (0.48) PPARGAGTR1MMEAGTR2
SCHEMBL654692 0.86 PPARG (0.48) PPARGAGTR1MMEAGTR2
SCHEMBL15253877 0.85 MME (0.49) MME
SCHEMBL653868 0.85 MME (0.40) PPARGAGTR1MME
SCHEMBL655018 0.84 MME (0.47) AGTR1MMEAGTR2
SCHEMBL9427910 0.82 PPARG (0.62) 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-7956054-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2011-06-07 US disclosed