SCHEMBL14938466

SCHEMBL14938466

CC(=NNC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MIF P14174 1/20 0.44
MAPT P10636 5/20 0.43
RECQL P46063 1/20 0.42
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL14938464 1.00 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL14938462 1.00 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL1406857 0.83 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL16590490 0.79 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL20583621 0.76 RAB9A (0.45) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL20583623 0.76 RAB9A (0.45) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL20583605 0.76 RAB9A (0.45) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL20583603 0.76 RAB9A (0.45) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL18650100 0.75 ALDH1A1 (0.46) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL3766292 0.75 RAB9A (0.41) RAB9ANPC1SMN1; SMN2HTTKMT2A

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-2013067646-A1 PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS UNIVERSITY OF OTTAWA (CA) 2013-05-16 WO disclosed