SCHEMBL10362467

SCHEMBL10362467

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 9/20 0.44
▸ ITK Q08881 1/20 0.40
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ ZDHHC20 Q5W0Z9 1/20 0.37
▸ ZDHHC2 Q9UIJ5 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ IDO1 P14902 1/20 0.35

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
SCHEMBL10808081 0.95 TGM2 (0.47) TGM2ITKHDAC3HDAC1HDAC2
SCHEMBL10806137 0.90 TGM2 (0.43) TGM2ITKHDAC3HDAC1HDAC2
SCHEMBL10804531 0.84 TGM2 (0.52) TGM2ITKZDHHC20ZDHHC2GAA
SCHEMBL10806368 0.83 TGM2 (0.47) TGM2ITKZDHHC20ZDHHC2GAA
SCHEMBL10363161 0.80 TGM2 (0.51) TGM2ITKHDAC3HDAC1HDAC2
SCHEMBL10364770 0.80 TGM2 (0.43) TGM2ITKKMT2A
SCHEMBL10803446 0.79 TGM2 (0.56) TGM2ITKZDHHC20ZDHHC2GAA
SCHEMBL10807055 0.79 TGM2 (0.49) TGM2ITKZDHHC20ZDHHC2GAA
SCHEMBL10816283 0.77 TGM2 (0.47) TGM2ITK
SCHEMBL10363054 0.77 KMT2A (0.54) TGM2ITKKMT2A

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
EP-0155177-B1 UNSATURATED CYCLIC AMIDO-SUBSTITUTED ETHER COMPOUNDS AND PREPARATION PROCESS THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-10-31 — — EP disclosed
US-4649219-A CROSSLINKERS, ADHESIVES, PAINTS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1987-03-10 — — US disclosed
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