SCHEMBL10810349

SCHEMBL10810349

C=CC(=O)NCCCCOc1cc(OCCCCNC(=O)C=C)c2c(c1OCCCCNC(=O)C=C)C(=O)c1ccccc1C2=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 9/20 0.42
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KCNA3 P22001 1/20 0.38
▸ ITK Q08881 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ ZDHHC20 Q5W0Z9 1/20 0.35
▸ ZDHHC2 Q9UIJ5 1/20 0.35
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL10807361 0.89 TGM2 (0.42) TGM2GAAKMT2AKCNA3ITK
SCHEMBL10805774 0.83 TGM2 (0.43) TGM2GAAKMT2AZDHHC20ZDHHC2
SCHEMBL10802603 0.83 KMT2A (0.43) TGM2GAAKMT2AKCNA3ITK
SCHEMBL10806769 0.82 TGM2 (0.39) TGM2GAAKMT2AKCNA3ITK
SCHEMBL10364062 0.81 AURKA (0.43) TGM2GAAKMT2AKCNA3ITK
SCHEMBL10804942 0.81 KCNA3 (0.51) TGM2GAAKMT2AKCNA3ITK
SCHEMBL10805447 0.80 TGM2 (0.42) TGM2GAAKMT2AKCNA3ITK
SCHEMBL10818993 0.79 GAA (0.54) TGM2GAAKMT2AITKKDM4E
SCHEMBL11036931 0.79 PGAM1 (0.42) TGM2ALDH1A1
SCHEMBL10803446 0.78 TGM2 (0.56) TGM2GAAKMT2AITKKDM4E

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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