SCHEMBL10362443

SCHEMBL10362443

C=CC(=O)NCCCCOc1ccccc1-c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TGM2 P21980 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ITK Q08881 1/20 0.40
▸ ZDHHC20 Q5W0Z9 1/20 0.40
▸ ZDHHC2 Q9UIJ5 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ GSTO1 P78417 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10818993 0.93 GAA (0.54) GAAKMT2ATGM2KDM4EHTT
SCHEMBL10363161 0.89 TGM2 (0.51) GAAKMT2ATGM2KDM4EALDH1A1
SCHEMBL10803446 0.86 TGM2 (0.56) GAAKMT2ATGM2KDM4EALDH1A1
SCHEMBL10362504 0.86 GAA (0.66) GAAKMT2ATGM2KDM4EHTT
SCHEMBL10806216 0.83 TGM2 (0.45) GAAKMT2ATGM2ITKZDHHC20
SCHEMBL10804040 0.82 TGM2 (0.45) GAAKMT2ATGM2KDM4EALDH1A1
SCHEMBL10807055 0.82 TGM2 (0.49) GAAKMT2ATGM2KDM4EALDH1A1
SCHEMBL10364043 0.80 TGM2 (0.50) GAAKMT2ATGM2KDM4EALDH1A1
SCHEMBL10806562 0.80 TGM2 (0.53) GAAKMT2ATGM2KDM4EHTT
SCHEMBL10362346 0.80 ALDH1A1 (0.54) GAAKMT2ATGM2KDM4EHTT

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 3 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
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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