SCHEMBL27558672

SCHEMBL27558672

CCOC(=O)C(N)Cc1ccccc1.O=C(O)Cc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
MMP8 P22894 1/20 0.45
PSMB8 P28062 1/20 0.44
PSMB5 P28074 1/20 0.44
AKR1B1 P15121 1/20 0.44
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
SLC15A1 P46059 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TNF P01375 1/20 0.43
LMNA P02545 1/20 0.43

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
Phenylalanine Methyl Ester SCHEMBL27536000 0.88 NOS2 (0.48) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2734222 0.88 EPHX2 (0.51) PPARGPPARAEPHX2MAPTKDM4E
SCHEMBL21117877 0.88 EPHX2 (0.51) PPARGPPARAEPHX2MAPTKDM4E
SCHEMBL6365766 0.88 EPHX2 (0.51) PPARGPPARAEPHX2MAPTKDM4E
Hydrochloric Acid SCHEMBL5806378 0.86 EPHX2 (0.50) PPARGPPARAEPHX2MAPTKDM4E
Hypochlorous Acid SCHEMBL4393613 0.85 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL616963 0.85 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL132409 0.85 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL132790 0.85 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7864444 0.83 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5

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
CN-1301967-C Method of chiral separation for D,L-phenylalanine ester or its salt NANJING UNIVERSITY OF TECHNOLOGY (CN) 2007-02-28 CN disclosed
CN-1660794-A Method of chiral separation for D,L-phenylalanine ester or its salt NANJING UNIVERSITY OF TECHNOLOGY (CN) 2005-08-31 CN disclosed