SCHEMBL14110698

SCHEMBL14110698

CC(C)(C)OC(=O)NCC(N[C@@H](CNC(=O)OC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
CTSS P25774 7/20 0.44
CTSK P43235 7/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
SYK P43405 1/20 0.42
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
CAPN1 P07384 1/20 0.39
SERPINE1 P05121 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL2682024 0.87 MEN1 (0.51) MEN1GAAKMT2ACTSSCTSK
SCHEMBL5019146 0.87 CTSS (0.54) MEN1GAAKMT2ACTSSCTSK
SCHEMBL1854217 0.87 MEN1 (0.51) MEN1GAAKMT2ACTSSCTSK
SCHEMBL3544394 0.87 CTSS (0.54) MEN1GAAKMT2ACTSSCTSK
SCHEMBL1626495 0.87 CTSS (0.54) MEN1GAAKMT2ACTSSCTSK
Hydrochloric Acid SCHEMBL2681084 0.86 MEN1 (0.50) MEN1GAAKMT2ACTSSCTSK
SCHEMBL10475827 0.84 MEN1 (0.49) MEN1GAAKMT2ACTSSCTSK
SCHEMBL6936247 0.84 MEN1 (0.49) MEN1GAAKMT2ACTSSCTSK
SCHEMBL29398196 0.84 MEN1 (0.49) MEN1GAAKMT2ACTSSCTSK
SCHEMBL10475828 0.84 MEN1 (0.49) MEN1GAAKMT2ACTSSCTSK

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-7396859-B2 Perturbed membrane-binding compounds NST NEUROSURVIVAL TECHNOLOGIES, LTD. (IL) 2008-07-08 US disclosed
US-7396859-B2 Perturbed membrane-binding compounds NST NEUROSURVIVAL TECHNOLOGIES, LTD. (IL) 2008-07-08 US disclosed