SCHEMBL13694012

SCHEMBL13694012

CCC(CCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.84
GAA P10253 1/20 0.84
KMT2A Q03164 1/20 0.84
TDP1 Q9NUW8 1/20 0.54
CA2 P00918 6/20 0.50
MAPK1 P28482 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA1 P00915 5/20 0.46
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
CTSS P25774 4/20 0.42
CTSK P43235 4/20 0.42
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
EPHX1 P07099 1/20 0.39
HTT P42858 1/20 0.39
SYK P43405 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
SCHEMBL18704730 0.95 MEN1 (0.77) MEN1GAAKMT2ATDP1CA2
SCHEMBL5749667 0.95 MEN1 (0.77) MEN1GAAKMT2ATDP1CA2
SCHEMBL12341083 0.92 MEN1 (0.71) MEN1GAAKMT2ATDP1CA2
SCHEMBL15376152 0.92 MEN1 (0.71) MEN1GAAKMT2ATDP1CA2
SCHEMBL25090844 0.89 MEN1 (0.88) MEN1GAAKMT2ATDP1CA2
SCHEMBL16197656 0.85 MEN1 (0.66) MEN1GAAKMT2ATDP1CA2
SCHEMBL14630656 0.85 MEN1 (0.81) MEN1GAAKMT2ATDP1CA2
SCHEMBL25501121 0.84 MEN1 (0.79) MEN1GAAKMT2ATDP1CA2
SCHEMBL17150407 0.83 MEN1 (0.77) MEN1GAAKMT2ATDP1CA2
SCHEMBL4820803 0.82 MEN1 (0.76) MEN1GAAKMT2ATDP1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470399-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE VALERIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2019-04-17 EP disclosed
EP-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed
US-7585938-B2 Gamma-secretase inhibitors MORI HIROSHI 2009-09-08 US disclosed