SCHEMBL6239573

SCHEMBL6239573

O=C(O)Cc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.76
FFAR4 Q5NUL3 4/20 0.76
SRD5A2 P31213 1/20 0.60
NR3C1 P04150 2/20 0.57
AKR1B1 P15121 1/20 0.54

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
SCHEMBL6341082 0.90 FFAR1 (0.68) FFAR1FFAR4SRD5A2NR3C1AKR1B1
SCHEMBL14539208 0.88 PTPRC (0.64) FFAR1FFAR4AKR1B1
SCHEMBL1745006 0.87 FFAR1 (0.73) FFAR1FFAR4AKR1B1
SCHEMBL1745467 0.86 FFAR1 (1.00) FFAR1FFAR4AKR1B1
SCHEMBL4760103 0.86 MAOB (0.67) FFAR1FFAR4
SCHEMBL6337243 0.86 ALOX5 (0.59) FFAR1FFAR4SRD5A2NR3C1
SCHEMBL3511533 0.85 FFAR1 (0.59) FFAR1FFAR4SRD5A2
SCHEMBL8969156 0.85 SRD5A2 (0.70) FFAR1FFAR4SRD5A2NR3C1AKR1B1
SCHEMBL415441 0.85 FFAR1 (0.68) FFAR1FFAR4SRD5A2NR3C1AKR1B1
SCHEMBL1066614 0.85 FFAR1 (0.70) FFAR1FFAR4SRD5A2AKR1B1

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