SCHEMBL6240672

SCHEMBL6240672

CCOc1cc2c(cc1C(OCc1ccc(C(=O)O)cc1)c1cccc(F)c1F)C(C)(C)CCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.58
HNF4A P41235 12/20 0.58
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
RARA P10276 2/20 0.41
CYP26A1 O43174 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41

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
SCHEMBL6240261 0.85 RXRA (0.73) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6240675 0.85 RXRA (0.68) RXRAHNF4ARXRBRARBRARG
SCHEMBL6238163 0.84 RXRA (0.72) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6239086 0.84 RXRA (0.78) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6239260 0.81 RXRA (0.78) RXRAHNF4ARXRBRARBRARG
SCHEMBL6237941 0.74 RXRA (1.00) RXRAHNF4ARXRBRXRGRARB
SCHEMBL6241019 0.73 RXRA (0.65) RXRAHNF4ARXRBRXRGRARB
SCHEMBL6244597 0.73 RXRA (0.86) RXRAHNF4ARXRBRXRGRARB
SCHEMBL6239678 0.72 RXRA (0.71) RXRAHNF4ARXRBRARBRARG
SCHEMBL6242052 0.72 RXRA (0.77) RXRAHNF4ARXRBRXRGRARB

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
WO-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO claimed
WO-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO disclosed