SCHEMBL17150407

SCHEMBL17150407

CCCCC(CCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.77
GAA P10253 1/20 0.77
KMT2A Q03164 1/20 0.77
CTSK P43235 8/20 0.50
CTSS P25774 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
CA2 P00918 2/20 0.49
MAPK1 P28482 1/20 0.49
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL17079742 0.94 MEN1 (0.72) MEN1GAAKMT2ACTSKCTSS
SCHEMBL26520283 0.94 MEN1 (0.72) MEN1GAAKMT2ACTSKCTSS
SCHEMBL25501121 0.92 MEN1 (0.79) MEN1GAAKMT2ACTSKCTSS
SCHEMBL25090844 0.88 MEN1 (0.88) MEN1GAAKMT2ACTSKCTSS
SCHEMBL15376152 0.87 MEN1 (0.71) MEN1GAAKMT2ACTSKCTSS
SCHEMBL12341083 0.87 MEN1 (0.71) MEN1GAAKMT2ACTSKCTSS
SCHEMBL6200619 0.86 MEN1 (0.64) MEN1GAAKMT2ACTSKCTSS
SCHEMBL6200616 0.86 MEN1 (0.64) MEN1GAAKMT2ACTSKCTSS
SCHEMBL28079376 0.84 MEN1 (0.71) MEN1GAAKMT2ACTSKCTSS
SCHEMBL27594927 0.84 MEN1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 WO disclosed