SCHEMBL6610549

SCHEMBL6610549

CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C1=NOC(C(=O)N[C@@H](CC(=O)O)C(=O)COc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 17/20 0.49
▸ CASP3 P42574 4/20 0.43
▸ CASP6 P55212 1/20 0.39
▸ CASP8 Q14790 1/20 0.39

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
SCHEMBL6609214 0.96 CASP3 (0.48) CASP1CASP3CASP6CASP8
SCHEMBL6610053 0.89 CASP1 (0.44) CASP1CASP3CASP8
SCHEMBL6613047 0.88 CASP1 (0.39) CASP1CASP3CASP6CASP8
SCHEMBL6610840 0.81 CASP1 (0.41) CASP1CASP3
SCHEMBL6609604 0.80 CASP1 (0.47) CASP1CASP3
SCHEMBL6893774 0.80 CASP1 (0.47) CASP1CASP3
SCHEMBL6769747 0.79 CASP1 (0.39) CASP1CASP3
SCHEMBL6610140 0.78 CASP1 (0.46) CASP1CASP3CASP6CASP8
SCHEMBL6612467 0.78 CASP1 (0.47) CASP1CASP3
SCHEMBL6610158 0.77 KDM4C (0.39) —

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 8 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
WO-2001021599-A1 CASPASE INHIBITOR LG CHEMICAL 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
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
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