SCHEMBL6535137

SCHEMBL6535137

Cc1ccc(OCC2CCCN2S(=O)(=O)c2ccc3c(c2)C(=O)C(=O)N3)cc1

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 19/20 0.84
CASP7 P55210 14/20 0.84
CASP1 P29466 7/20 0.84
CASP6 P55212 4/20 0.84
CASP9 P55211 3/20 0.84
CASP2 P42575 3/20 0.84
CASP4 P49662 2/20 0.84
CASP8 Q14790 2/20 0.84

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
SCHEMBL6535139 1.00 CASP3 (0.84) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535497 0.93 CASP3 (0.82) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535499 0.93 CASP3 (0.82) CASP3CASP7CASP1CASP6CASP9
SCHEMBL2259065 0.91 CASP3 (0.82) CASP3CASP7CASP1CASP6CASP9
SCHEMBL2259069 0.91 CASP3 (0.82) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535718 0.91 CASP3 (0.82) CASP3CASP7CASP1CASP6CASP9
SCHEMBL6535719 0.91 CASP3 (0.82) CASP3CASP7CASP1CASP6CASP9
SCHEMBL2263591 0.91 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP9
SCHEMBL4094113 0.91 CASP3 (1.00) CASP3CASP7CASP1CASP6CASP9
SCHEMBL4143447 0.89 CASP3 (1.00) 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 11 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
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US 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
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
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed