SCHEMBL6610346

SCHEMBL6610346

CC(C)[C@H](NC(=O)OCc1ccccc1)C1=NOC(Cc2ccccc2)(C(=O)N[C@@H](CC(=O)O)C(=O)COC(=O)c2c(Cl)cccc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 6/20 0.48
▸ CASP3 P42574 14/20 0.48
▸ CASP6 P55212 12/20 0.48
▸ CASP8 Q14790 12/20 0.48

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
SCHEMBL6608974 0.89 CASP3 (0.47) CASP1CASP3CASP6CASP8
SCHEMBL6608983 0.89 CASP3 (0.49) CASP1CASP3CASP6CASP8
SCHEMBL6612306 0.88 CASP3 (0.46) CASP1CASP3CASP6CASP8
SCHEMBL6615946 0.88 CASP3 (0.46) CASP1CASP3CASP6CASP8
SCHEMBL6610764 0.87 CASP3 (0.47) CASP1CASP3CASP6CASP8
SCHEMBL6611925 0.87 CASP3 (0.48) CASP1CASP3CASP6CASP8
SCHEMBL6610703 0.86 CASP3 (0.44) CASP1CASP3CASP6CASP8
SCHEMBL6608460 0.86 CASP3 (0.44) CASP3CASP6CASP8
SCHEMBL6609801 0.86 CASP3 (0.44) CASP1CASP3CASP6CASP8
SCHEMBL6609273 0.86 CASP3 (0.44) CASP1CASP3CASP6CASP8

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