SCHEMBL6235528

SCHEMBL6235528

O=C(O)Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.62
NR4A2 P43354 3/20 0.55
FFAR1 O14842 5/20 0.54
FFAR4 Q5NUL3 4/20 0.54
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
S1PR1 P21453 1/20 0.50
LTK P29376 1/20 0.50
TAOK1 Q7L7X3 1/20 0.50
S1PR5 Q9H228 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
ALKBH1 Q13686 1/20 0.48
DDR1 Q08345 1/20 0.46
CA2 P00918 1/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP1 P03956 1/20 0.46
MMP13 P45452 1/20 0.46
ALOX5 P09917 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46

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
SCHEMBL10562150 0.86 NR4A2 (0.52) MAOBNR4A2FFAR1FFAR4S1PR1
SCHEMBL10566519 0.83 NR4A2 (0.56) MAOBNR4A2FFAR1FFAR4S1PR1
SCHEMBL3498840 0.82 NR4A2 (0.71) MAOBNR4A2FFAR1RXRARXRB
SCHEMBL5512464 0.80 MAOB (0.52) MAOBNR4A2FFAR1FFAR4PPARD
SCHEMBL6235530 0.79 MAOB (0.55) MAOBNR4A2FFAR1FFAR4PPARD
SCHEMBL6241934 0.78 POLB (0.56) MAOBNR4A2FFAR1FFAR4PPARD
SCHEMBL16552376 0.77 MAOB (1.00) MAOB
SCHEMBL11598621 0.77 NR4A2 (0.54) MAOBNR4A2PPARDPPARACA2
Hydrochloric Acid SCHEMBL17923795 0.76 MAOB (0.98) MAOB
Hydrochloric Acid SCHEMBL17923792 0.76 MAOB (0.98) MAOB

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