SCHEMBL6609420

SCHEMBL6609420

CC(C)[C@H](NC(=O)c1cccc2ccccc12)C1=NOC(COc2ccccc2)(C(=O)N[C@@H](CC(=O)O)C(=O)COc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 18/20 0.48
▸ CASP3 P42574 2/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CASP8 Q14790 1/20 0.42

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
SCHEMBL6610133 0.91 CASP3 (0.47) CASP1CASP3CASP6CASP8
SCHEMBL6893774 0.87 CASP1 (0.47) CASP1CASP3
SCHEMBL6609604 0.87 CASP1 (0.47) CASP1CASP3
SCHEMBL6611741 0.87 CASP3 (0.48) CASP1CASP3CASP6CASP8
SCHEMBL6610140 0.85 CASP1 (0.46) CASP1CASP3CASP6CASP8
SCHEMBL6769849 0.84 MEN1 (0.40) CASP1
SCHEMBL6613270 0.83 CASP1 (0.36) CASP1CASP3CASP6CASP8
SCHEMBL6625593 0.82 CASP1 (0.41) CASP1CASP3CASP6CASP8
SCHEMBL6643360 0.81 UTS2R (0.36) CASP1CASP3CASP6CASP8
SCHEMBL6611925 0.81 CASP3 (0.48) 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 10 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
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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