SCHEMBL6239576

SCHEMBL6239576

CC(=O)Oc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.66
FFAR4 Q5NUL3 3/20 0.66
MAOB P27338 2/20 0.52
PPARG P37231 1/20 0.51
TP53 P04637 2/20 0.50
PKM P14618 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MRGPRX4 Q96LA9 2/20 0.50
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 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
SCHEMBL1068959 0.85 MAOB (0.70) FFAR1FFAR4MAOBSMN1; SMN2RAB9A
SCHEMBL9491438 0.83 FFAR1 (0.68) FFAR1FFAR4MAOB
SCHEMBL1745006 0.83 FFAR1 (0.73) FFAR1FFAR4PPARGPTPRCPTPN1
SCHEMBL9403761 0.82 LMNA (0.68) FFAR1FFAR4TP53PKMRAB9A
SCHEMBL6239573 0.82 FFAR1 (0.76) FFAR1FFAR4
SCHEMBL5746820 0.81 MAOB (0.68) FFAR1MAOBPKMMRGPRX4PTPN1
SCHEMBL2966035 0.81 ALDH1A1 (0.66) FFAR1FFAR4
SCHEMBL15474273 0.81 FFAR1 (0.71) FFAR1FFAR4MAOBSMN1; SMN2
SCHEMBL1746424 0.80 FFAR1 (0.62) FFAR1FFAR4PPARGPKMMRGPRX4
SCHEMBL1747052 0.80 PPARG (0.81) FFAR1FFAR4PPARG

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