SCHEMBL4751891

SCHEMBL4751891

N[C@H](CS)C(=O)c1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.44
ENPEP Q07075 3/20 0.44
PTGS1 P23219 2/20 0.42
SLC7A11 Q9UPY5 1/20 0.42
MMP2 P08253 1/20 0.42
MDM2 Q00987 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
LMNA P02545 1/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
PGGT1B P53609 1/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL14227029 0.93 ANPEP (0.49) ANPEPENPEPPTGS1SLC7A11MMP2
SCHEMBL16330499 0.93 ANPEP (0.49) ANPEPENPEPPTGS1SLC7A11MMP2
SCHEMBL5495906 0.84 MDM2 (0.43) PTGS1MDM2TDP1L3MBTL1CES2
SCHEMBL14843883 0.81 KMO (0.40) ANPEPENPEPCES2CES1FNTA
SCHEMBL1969120 0.81 L3MBTL1 (0.41) PTGS1MDM2TDP1L3MBTL1CES2
SCHEMBL5057390 0.81 MDM2 (0.41) PTGS1MDM2TDP1L3MBTL1CES2
SCHEMBL2574988 0.79 PDPK1 (0.46) ANPEPENPEPPTGS1SLC7A11TDP1
SCHEMBL2574989 0.79 PDPK1 (0.46) ANPEPENPEPPTGS1SLC7A11TDP1
SCHEMBL1970885 0.78 BLM (0.47) PTGS1MMP2MDM2TDP1L3MBTL1
SCHEMBL5034524 0.77 MDM2 (0.47) PTGS1MDM2TDP1L3MBTL1CES2

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
WO-2008137165-A1 ANTI-GLYCATED CD59 ANTIBODIES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-11-13 WO disclosed