SCHEMBL13546232

SCHEMBL13546232

CC(C)(C)OC(=O)C(N)c1cccc(CON(O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.40
LTA4H P09960 1/20 0.38
SYK P43405 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BACE1 P56817 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CFD P00746 1/20 0.33
F11 P03951 1/20 0.33
TPSB2 P20231 1/20 0.33
MEN1 O00255 1/20 0.33
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32

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
SCHEMBL13525433 0.86 KMT2A (0.43) SLC7A5LTA4HKMT2ASMN1; SMN2MEN1
SCHEMBL855512 0.83 SLC7A5 (0.44) SLC7A5LTA4HSYKKMT2ASMN1; SMN2
SCHEMBL28796517 0.81 ACHE (0.43) SLC7A5LTA4HSYKKMT2AMEN1
SCHEMBL27847543 0.81 SLC7A5 (0.45) SLC7A5LTA4HSYKKMT2ASMN1; SMN2
SCHEMBL27559984 0.79 SLC7A5 (0.43) SLC7A5LTA4H
SCHEMBL8909021 0.78 ADRB1 (0.46) SLC7A5
SCHEMBL13546195 0.77 CFD (0.43) CFDF11TPSB2
SCHEMBL13546193 0.77 TSHR (0.35) KMT2ASMN1; SMN2CFDF11TPSB2
SCHEMBL3307226 0.77 MEN1 (0.40) SLC7A5LTA4HSYKKMT2AMEN1
SCHEMBL27881041 0.76 SLC7A5 (0.44) SLC7A5LTA4HSYKKMT2ASMN1; SMN2

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
US-7645748-B2 include a phosphate linker, at least one nitrate group that releases nitric oxide (NO), and a sterol or stanol group; useful for treating atherosclerosis, hypercholesterolemia, hyperlipidemia, hypertension, thrombosis, Type II diabetes, dementia, Alzheimer's disease and aging FORBES MEDI-TECH INC. (CA) 2010-01-12 US disclosed