SCHEMBL252768

SCHEMBL252768

CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
UCHL1 P09936 3/20 0.43
CYP2C19 P33261 1/20 0.42
EPHX2 P34913 1/20 0.41
KLK7 P49862 1/20 0.40
USP30 Q70CQ3 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL629586 0.87 ACE (0.47) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL629585 0.87 ACE (0.47) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL25175295 0.87 ACE (0.47) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL67044 0.85 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL27877016 0.85 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL6219872 0.85 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL67045 0.85 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL85536 0.85 HSD17B10 (0.69) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL20492528 0.84 HSD17B10 (0.68) HSD17B10SMN1; SMN2NPC1LMNANPSR1
Ammonia Solution, Strong SCHEMBL28264574 0.84 HSD17B10 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
EP-2338878-A2 N-hydroxyamide derivatives possessing antibacterial activity Vicuron Pharmaceuticals, Inc. (US) 2011-06-29 EP disclosed