SCHEMBL742154

SCHEMBL742154

CC(=O)OCc1nc(C(=O)O)co1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NOTUM Q6P988 2/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
FBP1 P09467 1/20 0.35
P2RY2 P41231 1/20 0.34
CES1 P23141 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP3A4 P08684 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CHRM3 P20309 1/20 0.32
PTGER1 P34995 1/20 0.32
PFKFB3 Q16875 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL345210 0.84 SLC6A2 (0.43) ALDH1A1NOTUMALOX5APFEN1FBP1
SCHEMBL3558466 0.83 HCAR2 (0.45) ALOX5APFEN1FBP1P2RY2CES1
SCHEMBL2113445 0.83 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2C19FBP1PFKFB3
SCHEMBL13270562 0.80 ALOX5AP (0.36) ALDH1A1ALOX5APFEN1CYP1A2FBP1
SCHEMBL25039089 0.79 ALOX5AP (0.35) ALOX5APFEN1FBP1P2RY2CES1
SCHEMBL3436268 0.79 SLC6A2 (0.39) ALDH1A1ALOX5APFEN1FBP1P2RY2
SCHEMBL27935881 0.78 ALDH1A1 (0.39) ALDH1A1NOTUMCYP1A2CYP2C19CYP3A4
SCHEMBL1760523 0.77 HCAR2 (0.39) P2RY2CES1HCAR2HRH3KDM4E
SCHEMBL27935879 0.77 ALDH1A1 (0.40) ALDH1A1NOTUMCYP1A2CYP2C19CYP3A4
SCHEMBL15301432 0.76 P2RY2 (0.35) ALOX5APFEN1FBP1P2RY2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
EP-2356108-B1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-10-15 EP disclosed
EP-2430006-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
EP-2356108-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-08-17 EP disclosed
WO-2010130944-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
WO-2010055267-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-05-20 WO disclosed