SCHEMBL6239086

SCHEMBL6239086

CCOc1cc2c(cc1C(OCc1ccccc1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.78
HNF4A P41235 12/20 0.78
CYP26A1 O43174 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP26B1 Q9NR63 1/20 0.47
RXRB P28702 2/20 0.46
RXRG P48443 1/20 0.46

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 0.97 RXRA (0.73) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6238163 0.92 RXRA (0.72) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6239260 0.89 RXRA (0.78) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6237941 0.88 RXRA (1.00) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6240675 0.85 RXRA (0.68) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6240672 0.84 RXRA (0.58) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6239678 0.82 RXRA (0.71) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6242052 0.79 RXRA (0.77) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6242056 0.79 RXRA (0.77) RXRAHNF4ACYP26A1CYP3A4CYP26B1
SCHEMBL6243758 0.77 RXRA (0.79) RXRAHNF4ACYP26A1CYP3A4CYP26B1

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