SCHEMBL6236731

SCHEMBL6236731

CC(=O)Oc1ccc(OCc2ccc(F)cc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.57
MMP13 P45452 3/20 0.56
ADAMTS4 O75173 2/20 0.56
MMP2 P08253 2/20 0.56
MMP14 P50281 2/20 0.56
ADAMTS5 Q9UNA0 2/20 0.56
RAB9A P51151 1/20 0.52
NR4A2 P43354 1/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAOA P21397 1/20 0.49
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL10397867 0.82 L3MBTL1 (0.58) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL6241934 0.81 POLB (0.56) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL9687102 0.80 L3MBTL1 (0.61) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL5921916 0.79 RAB9A (0.56) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL13220843 0.78 RAB9A (0.53) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL29955554 0.78 RAB9A (0.53) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL10397866 0.78 POLB (0.53) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL366514 0.77 ADAMTS5 (0.59) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL6235530 0.77 MAOB (0.55) MAOBMMP13ADAMTS4NR4A2POLB
SCHEMBL26124874 0.76 ADAMTS4 (0.52) MAOBMMP13ADAMTS4MMP2MMP14

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