SCHEMBL7646164

SCHEMBL7646164

C[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)O)N(C)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.51
PPARG P37231 2/20 0.47
APP P05067 2/20 0.46
CTSS P25774 1/20 0.46
SYK P43405 1/20 0.46
ATM Q13315 1/20 0.46
ACE P12821 1/20 0.45

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
SCHEMBL2212074 0.80 PPARA (0.55) PPARAPPARGAPPCTSSSYK
SCHEMBL1414710 0.80 PPARA (0.55) PPARAPPARGAPPCTSSSYK
SCHEMBL400187 0.80 PPARA (0.55) PPARAPPARGAPPCTSSSYK
SCHEMBL12018371 0.80 PPARA (0.55) PPARAPPARGAPPCTSSSYK
SCHEMBL400186 0.80 PPARA (0.55) PPARAPPARGAPPCTSSSYK
SCHEMBL12055688 0.80 PPARA (0.55) PPARAPPARGAPPCTSSSYK
SCHEMBL1414711 0.80 PPARA (0.55) PPARAPPARGAPPCTSSSYK
SCHEMBL3449019 0.80 PPARA (0.55) PPARAPPARGAPPCTSSSYK
Hydrochloric Acid SCHEMBL28347451 0.79 PPARA (0.54) PPARAPPARGAPPCTSSSYK
SCHEMBL15157049 0.79 PPARA (0.54) PPARAPPARGAPPCTSSSYK

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
US-6482921-B1 Uridyl peptide antibiotic (UPA) derivatives, their synthesis and use ESSENTIAL THERAPEUTICS, INC. 2002-11-19 US disclosed
WO-2000044335-A2 URIDYL PEPTIDE ANTIBIOTIC (UPA) DERIVATIVES, THEIR SYNTHESIS AND USE MICROCIDE PHARMACEUTICALS, INC. (US) 2000-08-03 WO disclosed