SCHEMBL6536147

SCHEMBL6536147

CC(C)(C)OC(=O)N1CCCC1COc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.57
LTA4H P09960 7/20 0.55
ALDH1A1 P00352 1/20 0.49
GPR119 Q8TDV5 2/20 0.48

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
SCHEMBL6535662 1.00 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL2200111 1.00 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4324159 0.98 LTA4H (0.58) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4319104 0.98 LTA4H (0.58) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL990496 0.98 LTA4H (0.58) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4325249 0.94 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4324215 0.94 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4324207 0.94 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4313051 0.94 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1
SCHEMBL4313056 0.94 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1

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 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