SCHEMBL6239017

SCHEMBL6239017

O=C(O)Cc1ccc(OCc2ccccc2CC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.51
FFAR4 Q5NUL3 8/20 0.51
PTPRC P08575 1/20 0.49
PTPN1 P18031 1/20 0.49
PPARD Q03181 2/20 0.48
PPARA Q07869 1/20 0.48
NR1H2 P55055 2/20 0.47
NR1H3 Q13133 2/20 0.47
RXRA P19793 1/20 0.47
AKR1B1 P15121 1/20 0.46
MAOB P27338 2/20 0.45
MAOA P21397 1/20 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
SCHEMBL4759812 0.83 MAOB (0.65) FFAR1FFAR4PPARDPPARANR1H2
SCHEMBL28141293 0.82 AKR1B1 (0.58) FFAR1FFAR4PTPRCPTPN1AKR1B1
SCHEMBL3500758 0.81 MAOB (0.63) FFAR1FFAR4PTPN1MAOB
SCHEMBL6237464 0.81 FFAR1 (0.55) FFAR1FFAR4NR1H2NR1H3RXRA
SCHEMBL6239954 0.79 NR1H4 (0.56) FFAR1FFAR4NR1H2NR1H3MAOB
SCHEMBL2552269 0.78 FOLH1 (0.53) FFAR1FFAR4PTPRCPTPN1AKR1B1
SCHEMBL6237724 0.78 MAOB (0.64) FFAR1FFAR4PPARDMAOB
SCHEMBL6239053 0.77 FFAR1 (0.75) FFAR1FFAR4
Methane SCHEMBL10567951 0.77 FOLH1 (0.52) FFAR1FFAR4PTPRCPTPN1AKR1B1
SCHEMBL1066614 0.77 FFAR1 (0.70) FFAR1FFAR4AKR1B1MAOB

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