SCHEMBL4740871

SCHEMBL4740871

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSK P43235 7/20 0.43
CTSS P25774 5/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PCSK9 Q8NBP7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
SYK P43405 1/20 0.41
CYP2D6 P10635 1/20 0.41
SERPINE1 P05121 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL1262597 1.00 MEN1 (0.47) MEN1GAAKMT2ACTSKCTSS
SCHEMBL6945578 1.00 MEN1 (0.47) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1105702 0.87 PCSK9 (0.50) MEN1GAAKMT2ACTSKCTSS
SCHEMBL21452652 0.86 MEN1 (0.44) MEN1GAAKMT2ACTSKCTSS
SCHEMBL21452654 0.86 MEN1 (0.44) MEN1GAAKMT2ACTSKCTSS
SCHEMBL24363894 0.84 MEN1 (0.42) MEN1GAAKMT2ACTSKCTSS
SCHEMBL7758385 0.84 MEN1 (0.42) MEN1GAAKMT2ACTSKCTSS
SCHEMBL7759432 0.84 MEN1 (0.42) MEN1GAAKMT2ACTSKCTSS
SCHEMBL3423364 0.84 CYP2D6 (0.43) MEN1GAAKMT2ACTSKCTSS
SCHEMBL13906658 0.84 MEN1 (0.49) MEN1GAAKMT2ACTSKCTSS

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
CN-102015699-A Heterocyclic urea derivatives and methods of use thereof-211 ASTRAZENECA AB 2011-04-13 CN disclosed
WO-2008093960-A1 NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS LG LIFE SCIENCES, LTD. (KR) 2008-08-07 WO disclosed