SCHEMBL6535888

SCHEMBL6535888

O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2C1=O

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 19/20 0.74
CASP7 P55210 13/20 0.74
CASP9 P55211 4/20 0.74
CASP1 P29466 7/20 0.73
CASP2 P42575 3/20 0.69
CASP6 P55212 3/20 0.69
CASP4 P49662 2/20 0.69
CASP8 Q14790 2/20 0.69

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
SCHEMBL6535733 1.00 CASP3 (0.74) CASP3CASP7CASP9CASP1CASP2
SCHEMBL13925543 0.88 CASP3 (0.78) CASP3CASP7CASP9CASP1CASP2
SCHEMBL5332434 0.85 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL3681391 0.85 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL3681388 0.85 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL30657493 0.85 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL5343586 0.84 CASP3 (0.71) CASP3CASP7CASP9CASP1CASP2
SCHEMBL5426180 0.83 CASP3 (0.68) CASP3CASP7CASP9CASP1CASP2
SCHEMBL7428657 0.83 CASP3 (0.71) CASP3CASP7CASP9CASP1CASP2
SCHEMBL5335341 0.83 CASP3 (0.67) CASP3CASP7CASP9CASP1CASP2

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