SCHEMBL14201896

SCHEMBL14201896

C[C@@H]1C[C@@H]1C(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
UCHL1 P09936 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SCN4A P35499 1/20 0.42
EPHX2 P34913 1/20 0.42
USP30 Q70CQ3 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
SCHEMBL28133679 0.89 HSD17B10 (0.62) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL25342396 0.84 HSD17B10 (0.62) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL25971819 0.83 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL25970777 0.83 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL5423484 0.83 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL5423481 0.83 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL586123 0.83 HSD17B10 (0.60) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6322189 0.83 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6322183 0.83 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6219872 0.81 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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-2008057995-A2 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-05-15 WO disclosed