SCHEMBL6239954

SCHEMBL6239954

O=C(O)Cc1ccc(OCc2ccccc2-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.56
FFAR4 Q5NUL3 11/20 0.56
FFAR1 O14842 11/20 0.56
MAOB P27338 4/20 0.53
MAOA P21397 1/20 0.53
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL4759812 0.90 MAOB (0.65) NR1H4FFAR4FFAR1MAOBMAOA
SCHEMBL6239053 0.81 FFAR1 (0.75) FFAR4FFAR1
SCHEMBL9892644 0.79 PTGS2 (0.52) FFAR4THRATHRB
SCHEMBL6239017 0.79 FFAR1 (0.51) FFAR4FFAR1MAOBMAOANR1H2
SCHEMBL6241283 0.79 FFAR4 (0.78) FFAR4FFAR1
SCHEMBL6239647 0.79 PPARD (0.61) FFAR4FFAR1THRATHRB
SCHEMBL6237904 0.78 FFAR1 (0.57) FFAR4FFAR1
SCHEMBL3500758 0.77 MAOB (0.63) FFAR4FFAR1MAOB
SCHEMBL6237464 0.77 FFAR1 (0.55) NR1H4FFAR4FFAR1NR1H2NR1H3
SCHEMBL6240957 0.76 NR1H4 (0.52) NR1H4FFAR4FFAR1MAOBMAOA

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