SCHEMBL8396647

SCHEMBL8396647

CCCCc1nc2cccc(O)c2n1-c1ccc(-c2ccccc2C(=O)O)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
AGTR2 P50052 3/20 0.46
AGTR1 P30556 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
PPARG P37231 1/20 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
SCHEMBL8393294 0.88 AGTR2 (0.47) AGTR2AGTR1
SCHEMBL8393575 0.87 AGTR2 (0.44) AGTR2AGTR1LMNAMAPK1PPARG
SCHEMBL8392455 0.87 AGTR2 (0.43) AGTR2AGTR1
SCHEMBL8392422 0.86 AGTR1 (0.56) AGTR2AGTR1PPARG
Water SCHEMBL8396080 0.86 AGTR1 (0.41) AGTR2AGTR1PPARG
SCHEMBL8394867 0.85 AGTR1 (0.41) AGTR2AGTR1
SCHEMBL8396608 0.85 PPARG (0.45) ALDH1A1AGTR2AGTR1PPARG
Water SCHEMBL8395451 0.84 AGTR2 (0.41) AGTR2AGTR1PPARG
SCHEMBL8396601 0.83 AGTR1 (0.48) AGTR2AGTR1PPARG
SCHEMBL8393639 0.83 PPARG (0.57) AGTR2AGTR1PPARG

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed