SCHEMBL6535958

SCHEMBL6535958

CC(C)(C)OC(=O)N1CCCC1(O)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
KLK7 P49862 1/20 0.40
STS P08842 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL5177114 0.90 POLB (0.43) MEN1POLBKMT2AOPRD1OPRK1
SCHEMBL1843456 0.88
SCHEMBL6535633 0.83 OPRD1 (0.39) OPRD1OPRK1STS
SCHEMBL14828673 0.80 OPRD1 (0.43) OPRD1OPRK1
SCHEMBL2894585 0.79
SCHEMBL8639686 0.79
SCHEMBL22834092 0.78 OPRD1 (0.51) OPRD1OPRK1STS
SCHEMBL8248950 0.77 NPFFR1 (0.48) OPRD1OPRK1
SCHEMBL14661271 0.77 CYP2D6 (0.48) OPRD1OPRK1
SCHEMBL2436947 0.77 JAK3 (0.38) OPRD1OPRK1

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