SCHEMBL10628809

SCHEMBL10628809

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
KLK5 Q9Y337 3/20 0.51
KLK7 P49862 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
PPARA Q07869 1/20 0.47
REN P00797 5/20 0.46
CTSK P43235 2/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
CTSS P25774 1/20 0.44
CTSL P07711 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
SCHEMBL10628675 1.00 SYK (0.55) SYKKLK5KLK7TRPM8PPARA
SCHEMBL11026023 0.91 SYK (0.57) SYKKLK5KLK7TRPM8PPARA
SCHEMBL10628673 0.91 SYK (0.57) SYKKLK5KLK7TRPM8PPARA
SCHEMBL10630534 0.89 REN (0.54) SYKKLK5RENCTSK
SCHEMBL10634825 0.89 REN (0.54) SYKKLK5RENCTSK
SCHEMBL10634879 0.89 KLK5 (0.58) SYKKLK5TRPM8RENCTSK
SCHEMBL10630616 0.89 KLK5 (0.58) SYKKLK5TRPM8RENCTSK
SCHEMBL27805991 0.86 SYK (0.52) SYKKLK5KLK7TRPM8PPARA
SCHEMBL27805989 0.86 SYK (0.52) SYKKLK5KLK7TRPM8PPARA
SCHEMBL16824022 0.83 SYK (0.61) SYKKLK5PPARACTSKMAPT

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-4755592-A Statine-containing peptides useful in medicaments MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-07-05 US disclosed