SCHEMBL10600322

SCHEMBL10600322

CC(C)(C)OC(=O)[C@@H](CS(=O)(=O)Cl)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
CTSK P43235 8/20 0.51
CTSS P25774 4/20 0.50
CTSL P07711 3/20 0.50
CTSB P07858 2/20 0.50
PPARA Q07869 1/20 0.48
PSMB5 P28074 1/20 0.48
MMP13 P45452 3/20 0.47
CASP1 P29466 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
KYNU Q16719 1/20 0.46

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
SCHEMBL10876867 1.00 SYK (0.54) SYKCTSKCTSSCTSLCTSB
SCHEMBL10876857 1.00 SYK (0.54) SYKCTSKCTSSCTSLCTSB
SCHEMBL10603735 0.88 SYK (0.54) SYKCTSKCTSSCTSLCTSB
SCHEMBL2102910 0.87 CASP1 (0.52) CTSKCTSSCTSLCTSBMMP13
SCHEMBL10605867 0.87 SYK (0.53) SYKCTSKCTSSCTSLCTSB
SCHEMBL2749553 0.85 PPARA (0.53) CTSKCTSSCTSLCTSBPPARA
SCHEMBL6320951 0.84 SYK (0.59) SYKCTSKCTSSCTSLCTSB
SCHEMBL21340066 0.84 SYK (0.66) SYKCTSKCTSSCTSLCTSB
SCHEMBL19485480 0.84 CTSK (0.62) SYKCTSKCTSSCTSLCTSB
SCHEMBL13688643 0.84 SYK (0.66) SYKCTSKCTSSCTSLCTSB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194443-B1 NOVEL PEPTIDES, COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PRODUCTION TANABE SEIYAKU CO., LTD. (JP) 1989-08-30 EP disclosed
US-4711878-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS TANABE SEIYAKU CO., LTD. (JP) 1987-12-08 US disclosed
EP-0194443-A2 Novel peptides, compositions containing them and processes for their production TANABE SEIYAKU CO., LTD. (JP) 1986-09-17 EP disclosed