SCHEMBL1241445

SCHEMBL1241445

CC(C)(C)c1ccc(CN(C(=O)C(=O)O)c2cc(-c3ccccc3)ccc2OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.52
ALOX5 P09917 2/20 0.47
PTGES O14684 1/20 0.47
NR1H4 Q96RI1 4/20 0.39
PTPN1 P18031 1/20 0.39
PSEN1 P49768 1/20 0.38
GCGR P47871 2/20 0.38
GIPR P48546 2/20 0.38
GLP1R P43220 1/20 0.38
CYP19A1 P11511 1/20 0.38
CACNA1H O95180 1/20 0.37
ACLY P53396 1/20 0.37
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1241501 0.87 SERPINE1 (0.54) SERPINE1ALOX5PTGESNR1H4GCGR
SCHEMBL1239090 0.87 SERPINE1 (0.57) SERPINE1ALOX5PTGESNR1H4PSEN1
SCHEMBL1241436 0.85 SERPINE1 (0.56) SERPINE1ALOX5PTGESNR1H4GCGR
SCHEMBL1241600 0.84 SERPINE1 (0.51) SERPINE1ALOX5PTGESNR1H4PSEN1
SCHEMBL1241732 0.84 SERPINE1 (0.51) SERPINE1ALOX5PTGESNR1H4PSEN1
SCHEMBL1242737 0.83 SERPINE1 (0.50) SERPINE1ALOX5PTGESNR1H4GCGR
SCHEMBL1241530 0.83 SERPINE1 (0.56) SERPINE1ALOX5PTGESNR1H4GCGR
SCHEMBL1241427 0.83 PTGES (0.53) SERPINE1ALOX5PTGESNR1H4CYP19A1
SCHEMBL1241578 0.82 SERPINE1 (0.49) SERPINE1ALOX5PTGESNR1H4PTPN1
SCHEMBL1241736 0.82 SERPINE1 (0.53) SERPINE1ALOX5PTGESNR1H4GCGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed