SCHEMBL10803552

SCHEMBL10803552

C=CC(=O)NCCCCOc1c(O)c(O)c2ccccc2c(=O)c1OCCCCNC(=O)C=C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 16/20 0.44
▸ ZDHHC20 Q5W0Z9 1/20 0.38
▸ ZDHHC2 Q9UIJ5 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ ITK Q08881 1/20 0.36

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
SCHEMBL10803562 0.86 TGM2 (0.43) TGM2ZDHHC20ZDHHC2GAAITK
SCHEMBL10803555 0.84 TGM2 (0.46) TGM2ZDHHC20ZDHHC2GAAITK
SCHEMBL10811305 0.82 ZDHHC20 (0.50) TGM2ZDHHC20ZDHHC2GAA
SCHEMBL10804036 0.79 ZDHHC20 (0.45) TGM2ZDHHC20ZDHHC2GAA
SCHEMBL10805774 0.79 TGM2 (0.43) TGM2ZDHHC20ZDHHC2GAA
SCHEMBL10806137 0.79 TGM2 (0.43) TGM2ZDHHC20ZDHHC2GAAITK
SCHEMBL10808081 0.79 TGM2 (0.47) TGM2ZDHHC20ZDHHC2GAAITK
SCHEMBL10363150 0.77 HDAC6 (0.50) TGM2ZDHHC20ZDHHC2ITK
SCHEMBL10362384 0.77 TGM2 (0.49) TGM2ZDHHC20ZDHHC2GAA
SCHEMBL10804531 0.77 TGM2 (0.52) TGM2ZDHHC20ZDHHC2GAAITK

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-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
EP-0155177-A2 Unsaturated cyclic amido-substituted ether compounds and preparation process thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-09-18 — — EP disclosed
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