SCHEMBL6535633

SCHEMBL6535633

COC1(CCc2ccccc2)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
STS P08842 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6535958 0.83 MEN1 (0.41) OPRD1OPRK1STS
SCHEMBL3239831 0.81 KLK7 (0.40)
SCHEMBL10416299 0.78 KLK7 (0.40)
SCHEMBL14828673 0.78 OPRD1 (0.43) OPRD1OPRK1
SCHEMBL1750829 0.78 OPRD1 (0.39) OPRD1OPRK1STS
SCHEMBL71535 0.77 GRIN2B (0.39) ALDH1A1
SCHEMBL5177114 0.76 POLB (0.43) OPRD1OPRK1ALDH1A1
SCHEMBL1843456 0.76
SCHEMBL1751335 0.75 KDM4E (0.36)
SCHEMBL194209 0.75

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