SCHEMBL10874175

SCHEMBL10874175

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 3/20 0.51
PPARG P37231 12/20 0.44
PPARA Q07869 11/20 0.44
ACE P12821 1/20 0.44
EPHX1 P07099 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
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 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
SCHEMBL27949321 1.00 SRR (0.51) SRRPPARGPPARAACEEPHX1
SCHEMBL28982634 0.83 SRR (0.58) SRRPPARGPPARAACEEPHX1
SCHEMBL7276245 0.83 PPARG (0.45) PPARGPPARAEPHX1
SCHEMBL7276239 0.83 PPARG (0.45) PPARGPPARAEPHX1
SCHEMBL15757776 0.81 LMNA (0.48) PPARGPPARAACEALDH1A1SMN1; SMN2
SCHEMBL7454107 0.81 SRR (0.51) SRRPPARGPPARAACEEPHX1
SCHEMBL7454461 0.81 SRR (0.51) SRRPPARGPPARAACEEPHX1
SCHEMBL7454095 0.81 SRR (0.51) SRRPPARGPPARAACEEPHX1
SCHEMBL395105 0.80 SRR (0.47) SRRPPARGPPARAACEEPHX1
SCHEMBL28336186 0.80 SRR (0.54) SRRPPARGPPARAACEEPHX1

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-0202776-A1 Ureidoalkanoylaminocarbonyl amino and imino acids and esters E.R. Squibb & Sons, Inc. (US) 1986-11-26 EP disclosed