SCHEMBL6612201

SCHEMBL6612201

CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(O)COc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
CASP1 P29466 1/20 0.47
KLK5 Q9Y337 3/20 0.45
ELANE P08246 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
PPARA Q07869 1/20 0.42
CTSK P43235 3/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KLK7 P49862 1/20 0.42
CTSS P25774 2/20 0.41
PRTN3 P24158 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
REN P00797 1/20 0.41

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
SCHEMBL79132 0.87 SYK (0.44) SYKITGB3ITGA2BKLK5TRPM8
SCHEMBL79910 0.87 SYK (0.44) SYKITGB3ITGA2BKLK5TRPM8
SCHEMBL3213032 0.87 SYK (0.44) SYKITGB3ITGA2BKLK5TRPM8
SCHEMBL87318 0.87 SYK (0.58) SYKCASP1KLK5TRPM8CTSK
SCHEMBL7404713 0.87 SYK (0.53) SYKCASP1KLK5TRPM8CTSK
SCHEMBL15095154 0.87 SYK (0.58) SYKCASP1KLK5TRPM8CTSK
SCHEMBL6610176 0.85 CASP1 (0.53) SYKCASP1KLK5KLK7
SCHEMBL7399633 0.85 SYK (0.47) SYKITGB3ITGA2BKLK5TRPM8
SCHEMBL27658167 0.84 SYK (0.55) SYKKLK5ELANETRPM8CTSK
SCHEMBL27885868 0.84 SYK (0.55) SYKKLK5ELANETRPM8CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212309-B1 CASPASE INHIBITOR LG CHEM INVESTMENT LTD (KR) 2004-08-18 EP disclosed
US-6747050-B1 INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS LG CHEM INVESTMENT LTD. (KR) 2004-06-08 US disclosed
EP-1212309-A4 CASPASE INHIBITOR LG CHEM INVESTMENT LTD (KR) 2002-11-27 EP disclosed
EP-1212309-A1 CASPASE INHIBITOR LG Chem Investment, Ltd. (KR) 2002-06-12 EP disclosed
WO-2001021600-A1 CASPASE INHIBITOR LG CHEM INVESTMENT LTD. (KR) 2001-03-29 WO disclosed
WO-2001021599-A1 CASPASE INHIBITOR LG CHEMICAL LTD. (KR) 2001-03-29 WO disclosed