SCHEMBL6237264

SCHEMBL6237264

CCCOc1cc2c(cc1Cc1ccc(C(=O)OC)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.51
CYP3A4 P08684 3/20 0.50
CYP26A1 O43174 2/20 0.47
HNF4A P41235 3/20 0.46
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 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
SCHEMBL6245896 0.96 RXRA (0.51) RXRACYP3A4CYP26A1HNF4ARXRB
SCHEMBL6238864 0.93 RXRA (0.48) RXRACYP3A4CYP26A1HNF4ARXRB
SCHEMBL6238178 0.91 RXRA (0.56) RXRACYP3A4CYP26A1HNF4ARXRB
SCHEMBL6240822 0.89 RXRA (0.65) RXRACYP3A4CYP26A1HNF4ARXRB
SCHEMBL6236296 0.87 RXRA (0.55) RXRACYP3A4CYP26A1HNF4ARXRB
SCHEMBL8896825 0.85 RXRA (0.63) RXRACYP3A4CYP26A1HNF4ARXRB
SCHEMBL6241810 0.84 RXRA (0.65) RXRAHNF4ARXRBRXRG
SCHEMBL6240226 0.83 RXRA (0.51) RXRACYP3A4CYP26A1HNF4ARXRB
SCHEMBL6244973 0.81 RXRA (0.61) RXRAHNF4ARXRBRXRG
SCHEMBL6241202 0.81 RXRA (0.56) RXRACYP3A4CYP26A1HNF4ARXRB

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