SCHEMBL6237464

SCHEMBL6237464

O=C(O)Cc1ccc(OCc2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.55
FFAR4 Q5NUL3 8/20 0.55
NR1H4 Q96RI1 3/20 0.53
RXRA P19793 2/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45

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
SCHEMBL6857028 0.82 L3MBTL1 (0.62) FFAR1FFAR4
SCHEMBL6239017 0.81 FFAR1 (0.51) FFAR1FFAR4RXRANR1H2NR1H3
SCHEMBL4759812 0.81 MAOB (0.65) FFAR1FFAR4NR1H4RXRANR1H2
SCHEMBL29782307 0.80 CXCL8 (0.58) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL534254 0.80 CXCL8 (0.58) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL3500758 0.79 MAOB (0.63) FFAR1FFAR4
Hydrochloric Acid SCHEMBL2530814 0.78 CXCL8 (0.57) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL28141293 0.77 AKR1B1 (0.58) FFAR1FFAR4
SCHEMBL6239954 0.77 NR1H4 (0.56) FFAR1FFAR4NR1H4NR1H2NR1H3
SCHEMBL378766 0.76 EPHX2 (0.54) NR1H4RXRARXRBRXRGMRGPRX4

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