SCHEMBL6237281

SCHEMBL6237281

Cc1cc2c(cc1N(Cc1ccc(C(=O)O)cc1)Cc1cccc(F)c1)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.56
HNF4A P41235 1/20 0.56
RXRB P28702 9/20 0.55
RXRG P48443 9/20 0.55
RARG P13631 3/20 0.51
RARA P10276 2/20 0.51
RARB P10826 2/20 0.51
TAS2R14 Q9NYV8 3/20 0.49
MEN1 O00255 1/20 0.46
CYP26A1 O43174 1/20 0.46
ABCB11 O95342 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A2 P23975 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
SCHEMBL6244443 0.91 RXRA (0.59) RXRAHNF4ARXRBRXRGRARG
SCHEMBL6239533 0.90 RXRA (0.62) RXRARXRBRXRGRARGRARA
SCHEMBL6242934 0.89 RXRA (0.47) RXRAHNF4ARXRBRXRGRARG
SCHEMBL6237283 0.72 RXRA (1.00) RXRAHNF4ARXRBRXRGRARG
SCHEMBL29463956 0.71 RXRA (1.00) RXRARXRBRXRGRARGRARA
SCHEMBL17049085 0.71 RXRA (1.00) RXRARXRBRXRGRARGRARA
SCHEMBL6889150 0.70 RXRA (1.00) RXRARXRBRXRGRARGRARA
SCHEMBL726140 0.69 RXRA (1.00) RXRAHNF4ARXRBRXRGRARG
SCHEMBL30054740 0.69 RXRA (1.00) RXRAHNF4ARXRBRXRGRARG
SCHEMBL28907614 0.69 RXRA (0.68) RXRARXRBRXRGRARGRARA

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