SCHEMBL6623918

SCHEMBL6623918

CC(C)(C)OC(=O)NC#CCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSK P43235 9/20 0.37
CTSS P25774 9/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN11 Q06124 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
APLNR P35414 1/20 0.33

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
SCHEMBL6624037 0.85 CYP2D6 (0.38) MEN1GAAKMT2ACTSKCTSS
SCHEMBL2396853 0.82 MEN1 (0.36) MEN1GAAKMT2ACTSKCTSS
SCHEMBL30975132 0.81 CTSK (0.39) MEN1GAAKMT2ACTSKCTSS
SCHEMBL7437833 0.79 PTPN11 (0.49) MEN1GAAKMT2ACTSKCTSS
SCHEMBL6692466 0.79 PTPN11 (0.46) MEN1GAAKMT2ACTSKCTSS
SCHEMBL18712103 0.79 CTSK (0.38) MEN1GAAKMT2ACTSKCTSS
SCHEMBL5728803 0.79 CTSK (0.38) MEN1GAAKMT2ACTSKCTSS
SCHEMBL30464727 0.78 CTSK (0.41) MEN1GAAKMT2ACTSKCTSS
SCHEMBL19787902 0.76 CTSK (0.36) MEN1GAAKMT2ACTSKCTSS
SCHEMBL1207296 0.75 CTSK (0.36) 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
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed