SCHEMBL6535548

SCHEMBL6535548

COc1ccc(OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.49
ALDH1A1 P00352 1/20 0.48
ALOX5AP P20292 3/20 0.48
FEN1 P39748 1/20 0.48
DPP4 P27487 1/20 0.47
F2RL3 Q96RI0 2/20 0.47
FFAR1 O14842 1/20 0.46
CHEK2 O96017 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL6535308 1.00 GPR119 (0.49) GPR119ALDH1A1ALOX5APFEN1DPP4
SCHEMBL6535537 0.90 GPR119 (0.49) GPR119ALOX5APFEN1DPP4FFAR1
SCHEMBL14045135 0.90 GPR119 (0.49) GPR119ALOX5APFEN1DPP4FFAR1
SCHEMBL4314692 0.90 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL2889380 0.90 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL4326309 0.90 GPR119 (0.49) GPR119ALOX5APFEN1CHEK2HRH2
SCHEMBL604148 0.89 FPR3 (0.51) GPR119ALOX5APFEN1DPP4CHEK2
SCHEMBL6536147 0.89 ALOX5AP (0.57) GPR119ALDH1A1ALOX5AP
SCHEMBL4312705 0.89 GPR119 (0.48) GPR119ALOX5APFEN1F2RL3CHEK2
SCHEMBL604147 0.89 FPR3 (0.51) GPR119ALOX5APFEN1DPP4CHEK2

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 7 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
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
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