SCHEMBL10808692

SCHEMBL10808692

C=CC(=O)NCCCCNc1ccc(C(=O)OCCCCNC(=O)C=C)c(OCCCCNC(=O)C=C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 7/20 0.40
▸ POLB P06746 1/20 0.37
▸ ZDHHC20 Q5W0Z9 1/20 0.36
▸ ZDHHC2 Q9UIJ5 1/20 0.36
▸ ITK Q08881 4/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ JAK3 P52333 1/20 0.33
▸ GAA P10253 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
SCHEMBL10805904 0.85 HPGD (0.44) TGM2ZDHHC20ZDHHC2ITKTDP1
SCHEMBL10818366 0.82 TGM2 (0.50) TGM2ITKTDP1MEN1KMT2A
SCHEMBL10802404 0.81 TGM2 (0.41) TGM2ZDHHC20ZDHHC2ITKEGFR
SCHEMBL10808053 0.81 TGM2 (0.46) TGM2ITKTDP1GAA
SCHEMBL10808542 0.78 ITK (0.43) TGM2ZDHHC20ZDHHC2ITKTDP1
SCHEMBL10803048 0.78 KDM4E (0.46) TGM2ITKKMT2AEGFRKDR
SCHEMBL11017564 0.78 TGM2 (0.44) TGM2ZDHHC20ZDHHC2ITKTDP1
SCHEMBL10803116 0.78 TSHR (0.44) TGM2MEN1KMT2AGAA
SCHEMBL10807794 0.77 TGM2 (0.40) TGM2ZDHHC20ZDHHC2ITKKMT2A
SCHEMBL10817754 0.77 TGM2 (0.47) TGM2ITKMEN1KMT2AGAA

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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