SCHEMBL9704759

SCHEMBL9704759

CCCc1nc2ccc(NC(=O)CCCCO)nc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.45
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43

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
SCHEMBL9704983 0.94 AGTR1 (0.48) PPARGAGTR1AGTR2
SCHEMBL9704654 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9704771 0.90 AGTR1 (0.42) PPARGAGTR1AGTR2
SCHEMBL9705132 0.90 AGTR1 (0.49) PPARGAGTR1AGTR2
SCHEMBL9705289 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9704752 0.88 PPARG (0.60) PPARGAGTR1AGTR2
SCHEMBL9705252 0.85 AGTR1 (0.51) PPARGAGTR1AGTR2
SCHEMBL9704005 0.84 AGTR1 (0.40) PPARGAGTR1AGTR2
SCHEMBL9704305 0.84 PPARG (0.45) PPARGAGTR1AGTR2
SCHEMBL9704411 0.84 AGTR1 (0.44) 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
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed