SCHEMBL9040896

SCHEMBL9040896

CCCCc1nc(C)c(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(OCc2ccc(C(=O)O)cc2)c(CCC)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
AGTR1 P30556 6/20 0.42
AGTR2 P50052 6/20 0.42
PPARG P37231 1/20 0.40

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
SCHEMBL9042610 0.93 AGTR1 (0.44) RXRARXRBRXRGAGTR1AGTR2
SCHEMBL9042685 0.92 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9044997 0.91 AGTR1 (0.45) RXRARXRBRXRGAGTR1AGTR2
SCHEMBL9040877 0.91 PPARG (0.45) PPARG
SCHEMBL9040733 0.88 AGTR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9042682 0.88 PPARG (0.46) PPARG
SCHEMBL9039663 0.84 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9593367 0.84 EDNRB (0.54)
SCHEMBL9042604 0.84 FFAR1 (0.47) AGTR1AGTR2PPARG
SCHEMBL9044992 0.83 PPARG (0.44) PPARG

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-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 EP disclosed