SCHEMBL9043045

SCHEMBL9043045

CCCCc1nc2c(C)ccc(OC)c2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
TLR7 Q9NYK1 1/20 0.47
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47

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
SCHEMBL9042520 0.92 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL9045043 0.92 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL9042387 0.91 PPARG (0.45) PPARGTLR7AGTR1AGTR2
SCHEMBL9041184 0.91 PPARG (0.46) PPARGTLR7AGTR1AGTR2
SCHEMBL9042118 0.90 PPARG (0.49) PPARGAGTR1AGTR2
Water SCHEMBL9041572 0.90 PPARG (0.48) PPARGAGTR1AGTR2
SCHEMBL9041933 0.89 PPARG (0.45) PPARGAGTR1AGTR2
SCHEMBL9042098 0.89 PPARG (0.45) PPARGAGTR1AGTR2
SCHEMBL8391535 0.89 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL9038696 0.88 TLR7 (0.43) TLR7

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
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed