SCHEMBL6535574

SCHEMBL6535574

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

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 16/20 0.76
▸ CASP7 P55210 7/20 0.63
▸ CASP9 P55211 4/20 0.63
▸ CASP1 P29466 4/20 0.62
▸ CASP2 P42575 3/20 0.61
▸ CASP6 P55212 3/20 0.61
▸ CASP4 P49662 2/20 0.61
▸ CASP8 Q14790 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61

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
SCHEMBL6535570 1.00 CASP3 (0.76) CASP3CASP7CASP9CASP1CASP2
SCHEMBL1092156 0.86 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535354 0.86 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL1092160 0.86 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535351 0.85 CASP3 (0.68) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535352 0.85 CASP3 (0.68) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535374 0.84 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6535370 0.84 CASP3 (1.00) CASP3CASP7CASP9CASP1CASP2
SCHEMBL8263963 0.83 CASP3 (0.65) CASP3CASP7CASP9CASP1CASP2
SCHEMBL6536689 0.83 CASP3 (0.64) 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 9 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-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-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 — — EP disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 — — 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
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 — — EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 — — WO disclosed
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