SCHEMBL8219918

SCHEMBL8219918

CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 4/20 0.50
NPC1 O15118 1/20 0.48
HSD11B1 P28845 2/20 0.48
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
USP30 Q70CQ3 1/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.43
KLK7 P49862 1/20 0.43

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
SCHEMBL8215878 0.87 UCHL1 (0.49) UCHL1NPC1HSD11B1LMNANPSR1
SCHEMBL2136252 0.87 NPC1 (0.53) UCHL1NPC1HSD11B1LMNANPSR1
SCHEMBL1795426 0.87 NPC1 (0.53) UCHL1NPC1HSD11B1LMNANPSR1
SCHEMBL1251121 0.87 NPC1 (0.53) UCHL1NPC1HSD11B1LMNANPSR1
SCHEMBL8222788 0.86 USP30 (0.53) UCHL1NPC1HSD11B1LMNANPSR1
SCHEMBL8221674 0.85 NPC1 (0.55) UCHL1NPC1HSD11B1LMNANPSR1
SCHEMBL10132254 0.84 UCHL1 (0.53) UCHL1NPC1LMNANPSR1KDM4E
SCHEMBL10132357 0.84 ALDH1A1 (0.56) UCHL1NPC1LMNANPSR1KDM4E
SCHEMBL3530509 0.83 NPC1 (0.57) UCHL1NPC1LMNANPSR1KDM4E
SCHEMBL5408443 0.83 NPC1 (0.57) UCHL1NPC1LMNANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed