SCHEMBL6535147

SCHEMBL6535147

CCOC(=O)CNS(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2.O=C1Nc2ccc(S(=O)(=O)N3CCCC3CNc3ccccc3)cc2C1=O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 19/20 0.73
CASP7 P55210 13/20 0.73
CASP1 P29466 7/20 0.73
CASP6 P55212 4/20 0.73
CASP9 P55211 3/20 0.73
CASP2 P42575 3/20 0.73
CASP4 P49662 2/20 0.73
CASP8 Q14790 2/20 0.73

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
SCHEMBL6535651 0.86 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535653 0.86 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535700 0.86 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6536683 0.79 ALDH1A1 (0.53) CASP3CASP7CASP1CASP9
SCHEMBL13925543 0.74 CASP3 (0.78) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535888 0.72 CASP3 (0.74) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535733 0.72 CASP3 (0.74) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535352 0.72 CASP3 (0.68) CASP3CASP7CASP1CASP6CASP9
SCHEMBL2263591 0.72 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535351 0.72 CASP3 (0.68) CASP3CASP7CASP1CASP6CASP9

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-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP claimed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP claimed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP claimed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO claimed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP claimed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO claimed