SCHEMBL10364011

SCHEMBL10364011

C=CC(=O)NCCCCOc1c(Br)cc(Br)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 10/20 0.45
▸ ZDHHC20 Q5W0Z9 1/20 0.41
▸ ZDHHC2 Q9UIJ5 1/20 0.41
▸ ITK Q08881 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FOXO1 Q12778 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ HDAC6 Q9UBN7 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
SCHEMBL10804146 0.85 MEN1 (0.48) TGM2ITKMEN1CYP1A2CYP3A4
SCHEMBL10362506 0.82 CYP1A2 (0.48) TGM2ZDHHC20ZDHHC2ITKMEN1
SCHEMBL10363150 0.81 HDAC6 (0.50) TGM2ZDHHC20ZDHHC2ITKMEN1
SCHEMBL10806368 0.80 TGM2 (0.47) TGM2ZDHHC20ZDHHC2ITKKMT2A
SCHEMBL10364043 0.78 TGM2 (0.50) TGM2ZDHHC20ZDHHC2ITKMEN1
SCHEMBL10804531 0.78 TGM2 (0.52) TGM2ZDHHC20ZDHHC2ITKKMT2A
SCHEMBL10812618 0.77 ZDHHC20 (0.47) TGM2ZDHHC20ZDHHC2MEN1CYP1A2
SCHEMBL10364076 0.77 MAPT (0.44) TGM2ITKMEN1KMT2AKDM4E
SCHEMBL10806297 0.77 CYP1A2 (0.44) TGM2ZDHHC20ZDHHC2MEN1CYP1A2
SCHEMBL10803446 0.76 TGM2 (0.56) TGM2ZDHHC20ZDHHC2ITKMEN1

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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