SCHEMBL6012032

SCHEMBL6012032

CC(C)(C)OC(=O)N1CCCC1C=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
STAT6 P42226 1/20 0.46
RIPK1 Q13546 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
NPC1 O15118 1/20 0.44
UCHL1 P09936 2/20 0.44
HSD17B10 Q99714 1/20 0.43
KLK7 P49862 1/20 0.43
HCRTR2 O43614 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL3052925 1.00 MEN1 (0.53) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL3052928 1.00 MEN1 (0.53) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL5152176 0.89 NPC1 (0.47) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL5152168 0.89 NPC1 (0.47) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL28466920 0.88 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL31019026 0.88 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL22852306 0.88 MEN1 (0.43) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL22745294 0.87 NPSR1 (0.49) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL7487281 0.86 GPR119 (0.47) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL5849203 0.86 GPR119 (0.47) MEN1KMT2ALMNAALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578777-A4 IAP BINDING COMPOUNDS UNIV PRINCETON (US) 2006-08-16 EP disclosed
EP-1578777-A2 IAP BINDING COMPOUNDS The Trustees of Princeton University (US) 2005-09-28 EP disclosed
WO-2004007529-A2 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2004-01-22 WO disclosed