SCHEMBL10806368

SCHEMBL10806368

C=CC(=O)NCCCCOc1ccc(OCCCCNC(=O)C=C)c2c(OCCCCNC(=O)C=C)c3ccccc3c(OCCCCNC(=O)C=C)c12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 14/20 0.47
▸ ITK Q08881 2/20 0.42
▸ ZDHHC20 Q5W0Z9 1/20 0.40
▸ ZDHHC2 Q9UIJ5 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 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
SCHEMBL10806137 0.94 TGM2 (0.43) TGM2ITKZDHHC20ZDHHC2GAA
SCHEMBL10804531 0.88 TGM2 (0.52) TGM2ITKZDHHC20ZDHHC2GAA
SCHEMBL10808081 0.87 TGM2 (0.47) TGM2ITKZDHHC20ZDHHC2GAA
SCHEMBL10803446 0.83 TGM2 (0.56) TGM2ITKZDHHC20ZDHHC2GAA
SCHEMBL10362467 0.83 TGM2 (0.44) TGM2ITKZDHHC20ZDHHC2GAA
SCHEMBL10806417 0.82 TGM2 (0.49) TGM2ITKZDHHC20ZDHHC2GAA
SCHEMBL10816283 0.81 TGM2 (0.47) TGM2ITKKDM4EALDH1A1HPGD
SCHEMBL10363054 0.81 KMT2A (0.54) TGM2ITKKMT2AKDM4EALDH1A1
SCHEMBL10363163 0.81 SLC6A4 (0.58) TGM2ITKKMT2AKDM4EALDH1A1
SCHEMBL10364011 0.80 TGM2 (0.45) TGM2ITKZDHHC20ZDHHC2KMT2A

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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