SCHEMBL6235530

SCHEMBL6235530

CC(=O)Oc1ccc(OCc2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.55
NR4A2 P43354 3/20 0.54
MAOA P21397 4/20 0.51
ALKBH1 Q13686 1/20 0.47
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
PTGER4 P35408 1/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
S1PR1 P21453 1/20 0.43
LTK P29376 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
S1PR5 Q9H228 1/20 0.43
LMNA P02545 1/20 0.43
ADAMTS4 O75173 1/20 0.43
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL6235528 0.79 MAOB (0.62) MAOBNR4A2ALKBH1FFAR1FFAR4
SCHEMBL13034130 0.79 GAA (0.49) MAOBALKBH1LMNAALDH1A1GAA
SCHEMBL6331482 0.78 NR4A2 (0.48) MAOBNR4A2MAOAALKBH1FFAR1
SCHEMBL6236731 0.77 MAOB (0.57) MAOBNR4A2MAOAADAMTS4MMP1
SCHEMBL5512464 0.76 MAOB (0.52) MAOBNR4A2ALKBH1FFAR1FFAR4
SCHEMBL1151268 0.76 MAOB (0.50) MAOBNR4A2MAOAALKBH1FFAR1
SCHEMBL365034 0.76 SCN9A (0.54) MAOBNR4A2MAOAPTGER4ADAMTS4
SCHEMBL76135 0.76 LMNA (0.64) PPARALMNAALDH1A1GAAMAPT
SCHEMBL11704258 0.75 NR4A2 (0.76) MAOBNR4A2MAOANR4A1NR4A3
SCHEMBL17514520 0.74 NR4A2 (0.44) MAOBNR4A2ALKBH1FFAR1FFAR4

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