SCHEMBL6239519

SCHEMBL6239519

Cc1cc2c(cc1C(OCc1ccc(OC(SF)(SF)SF)cc1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.74
HNF4A P41235 4/20 0.74
RXRB P28702 8/20 0.43
RXRG P48443 8/20 0.43
CYP26A1 O43174 2/20 0.42
CYP26B1 Q9NR63 2/20 0.42
CYP3A4 P08684 1/20 0.42
RARA P10276 3/20 0.41
RARB P10826 3/20 0.41
RARG P13631 3/20 0.41
MEN1 O00255 1/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40

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
SCHEMBL6244030 1.00 RXRA (0.74) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6238842 0.90 RXRA (0.77) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6241578 0.90 RXRA (0.77) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6242056 0.86 RXRA (0.77) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6242052 0.86 RXRA (0.77) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6243758 0.85 RXRA (0.79) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6243757 0.85 RXRA (0.79) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6241019 0.78 RXRA (0.65) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6241022 0.77 RXRA (0.76) RXRAHNF4ARXRBRXRGCYP26A1
SCHEMBL6240733 0.77 RXRA (1.00) RXRAHNF4ARXRBRXRGCYP26A1

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