SCHEMBL6239245

SCHEMBL6239245

CC1(C)CCC(C)(C)c2cc(C(OCc3ccccc3F)c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.77
HNF4A P41235 4/20 0.77
RXRB P28702 4/20 0.54
RARB P10826 10/20 0.53
RARG P13631 10/20 0.53
RARA P10276 7/20 0.53
CYP26A1 O43174 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP26B1 Q9NR63 2/20 0.53
RXRG P48443 3/20 0.49

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
SCHEMBL6243249 0.92 RXRA (0.66) RXRAHNF4ARXRBRARBRARG
SCHEMBL6240733 0.87 RXRA (1.00) RXRAHNF4ARXRBRARBRARG
SCHEMBL6239260 0.85 RXRA (0.78) RXRAHNF4ARXRBRARBRARG
SCHEMBL6244597 0.80 RXRA (0.86) RXRAHNF4ARXRBRARBRARG
SCHEMBL6242405 0.79 RXRA (0.61) RXRAHNF4ARXRBRARBRARG
SCHEMBL9519749 0.79 RXRA (0.71) RXRARXRBRARBRARGRARA
SCHEMBL6242235 0.78 RXRA (0.83) RXRAHNF4ARARBRARGRARA
SCHEMBL6240675 0.78 RXRA (0.68) RXRAHNF4ARXRBRARBRARG
SCHEMBL8681591 0.74 RXRA (0.71) RXRARXRBRARBRARGRARA
SCHEMBL6241022 0.74 RXRA (0.76) RXRAHNF4ARXRBRARBRARG

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