SCHEMBL11291089

SCHEMBL11291089

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.54
CTSK P43235 4/20 0.50
MME P08473 1/20 0.46
ECE1 P42892 1/20 0.46
CTSS P25774 2/20 0.46
SYK P43405 1/20 0.46
PPARA Q07869 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PSMB5 P28074 1/20 0.44

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
SCHEMBL10883348 0.91 PPARA (0.54) RENCTSKCTSSSYKPPARA
SCHEMBL2899548 0.91 PPARA (0.54) RENCTSKCTSSSYKPPARA
SCHEMBL17534595 0.90 REN (0.50) RENCTSKCTSSSYKPPARA
SCHEMBL17534597 0.90 REN (0.50) RENCTSKCTSSSYKPPARA
SCHEMBL17534600 0.90 REN (0.50) RENCTSKCTSSSYKPPARA
SCHEMBL31119164 0.89 REN (0.55) RENCTSKMMEECE1CTSS
SCHEMBL16464289 0.88 CTSK (0.58) RENCTSKCTSSSYKPPARA
SCHEMBL16464291 0.88 CTSK (0.58) RENCTSKCTSSSYKPPARA
SCHEMBL25384406 0.87 REN (0.49) RENCTSKCTSSSYKPPARA
SCHEMBL21778857 0.87 REN (0.49) RENCTSKCTSSSYKPPARA

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
US-4362716-A IMMUNOSTIMULANTS RHONE-POULENC INDUSTRIES (FR) 1982-12-07 US disclosed