SCHEMBL10805774

SCHEMBL10805774

C=CC(=O)NCCCCOc1c(O)c(O)c2c(c1OCCCCNC(=O)C=C)C(=O)c1ccccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 11/20 0.43
▸ ZDHHC20 Q5W0Z9 1/20 0.36
▸ ZDHHC2 Q9UIJ5 1/20 0.36
▸ PKLR P30613 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ BRCA1 P38398 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 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
SCHEMBL10810349 0.83 TGM2 (0.42) TGM2ZDHHC20ZDHHC2GAAKMT2A
SCHEMBL10807361 0.83 TGM2 (0.42) TGM2ZDHHC20ZDHHC2PKLRGAA
SCHEMBL10364062 0.82 AURKA (0.43) TGM2PKLRGAAKMT2AAURKA
SCHEMBL10806332 0.80 PKLR (0.44) TGM2PKLRKMT2A
SCHEMBL11036931 0.80 PGAM1 (0.42) TGM2PKLR
SCHEMBL10802603 0.80 KMT2A (0.43) TGM2ZDHHC20ZDHHC2GAAKMT2A
SCHEMBL10803552 0.79 TGM2 (0.44) TGM2ZDHHC20ZDHHC2GAA
SCHEMBL10803562 0.77 TGM2 (0.43) TGM2ZDHHC20ZDHHC2GAA
SCHEMBL10803555 0.77 TGM2 (0.46) TGM2ZDHHC20ZDHHC2GAA
SCHEMBL10804942 0.77 KCNA3 (0.51) TGM2ZDHHC20ZDHHC2GAAKMT2A

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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