SCHEMBL526282

SCHEMBL526282

NC(=O)C(Br)C(O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.53
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TRPA1 O75762 2/20 0.45
SRR Q9GZT4 2/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
MDM2 Q00987 1/20 0.43
SLC15A1 P46059 2/20 0.42
ANPEP P15144 1/20 0.42
LAP3 P28838 1/20 0.42
CPA1 P15085 1/20 0.42

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
SCHEMBL14966435 0.83 EPHX1 (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8578374 0.81 EPHX1 (0.56) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL295838 0.79 ALPI (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL27597075 0.79 EPHX1 (0.58) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL5246633 0.79 EPHX1 (0.58) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL414455 0.76 EPHX1 (0.60) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL3432001 0.76 EPHX1 (0.60) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7474169 0.76 EPHX1 (0.60) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL27548852 0.76 EPHX1 (0.60) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL2316542 0.76 EPHX1 (0.47) EPHX1ALPIPKMPTGS1XIAP

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
EP-2598476-A1 PROCESS FOR PREPARATION OF LACOSAMIDE AND SOME N-BENZYL-PROPANAMIDE INTERMEDIATE DERIVATIVES Indoco Remedies Limited (IN) 2013-06-05 EP disclosed
WO-2012014226-A1 PROCESS FOR PREPARATION OF LACOSAMIDE AND SOME N-BENZYL-PROPANAMIDE INTERMEDIATE DERIVATIVES INDOCO REMEDIES LIMITED (IN) 2012-02-02 WO disclosed