SCHEMBL6239593

SCHEMBL6239593

O=C(O)c1ccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.75
NR4A2 P43354 4/20 0.62
RXRA P19793 3/20 0.61
RXRB P28702 2/20 0.61
RXRG P48443 1/20 0.61
MRGPRX4 Q96LA9 3/20 0.55
MAOB P27338 6/20 0.53
MAOA P21397 1/20 0.53
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
PPARD Q03181 1/20 0.48

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
SCHEMBL6242006 0.84 RXRA (0.63) SRD5A2RXRARXRBRXRGNR1H2
SCHEMBL2200766 0.80 SRD5A2 (0.49) SRD5A2RXRAMAOBMAOANR1H2
SCHEMBL19951231 0.79 MAOB (0.76) SRD5A2NR4A2RXRARXRBRXRG
SCHEMBL6525591 0.79 MAOB (0.76) SRD5A2NR4A2RXRARXRBRXRG
SCHEMBL14014028 0.77 NR4A2 (1.00) NR4A2RXRARXRBRXRGMRGPRX4
SCHEMBL978743 0.76 MRGPRX4 (0.56) SRD5A2RXRARXRBRXRGMRGPRX4
SCHEMBL30413540 0.76 MRGPRX4 (0.56) SRD5A2RXRARXRBRXRGMRGPRX4
SCHEMBL21945026 0.76 SRD5A2 (0.45) SRD5A2RXRARXRBRXRGMAOB
SCHEMBL956796 0.76 NR1H2 (0.55) SRD5A2NR4A2RXRARXRBRXRG
SCHEMBL6088493 0.76 MRGPRX4 (0.50) SRD5A2NR4A2RXRAMRGPRX4MAOB

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-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed