SCHEMBL7454461

SCHEMBL7454461

NC(=O)O[C@@H](Cc1ccccc1)C(=O)C(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 3/20 0.51
EPHX1 P07099 1/20 0.47
PPARG P37231 11/20 0.44
PPARA Q07869 10/20 0.44
ACE P12821 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
PSAT1 Q9Y617 1/20 0.43
MDM2 Q00987 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
SCHEMBL7454095 1.00 SRR (0.51) SRREPHX1PPARGPPARAACE
SCHEMBL7454107 1.00 SRR (0.51) SRREPHX1PPARGPPARAACE
SCHEMBL28982634 0.86 SRR (0.58) SRREPHX1PPARGPPARAACE
SCHEMBL392334 0.83 SRR (0.50) SRREPHX1PPARGPPARAACE
SCHEMBL392336 0.83 SRR (0.50) SRREPHX1PPARGPPARAACE
SCHEMBL10874175 0.81 SRR (0.51) SRREPHX1PPARGPPARAACE
SCHEMBL27949321 0.81 SRR (0.51) SRREPHX1PPARGPPARAACE
SCHEMBL17205184 0.80 SRR (0.54) SRREPHX1PPARGPPARAACE
SCHEMBL28336186 0.80 SRR (0.54) SRREPHX1PPARGPPARAACE
SCHEMBL29073302 0.77 SRR (0.62) SRRPPARGPPARAPTGS1PSAT1

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
EP-0930292-B1 PROCESS FOR PREPARING BETA-AMINO-ALPHA-HYDROXY ACID DERIVATIVES KANEKA CORP (JP) 2002-10-16 EP claimed