SCHEMBL10364770

SCHEMBL10364770

C=CC(=O)NCCCCOc1ccc2ccccc2c1-c1c(O)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 11/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ITK Q08881 1/20 0.39

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
SCHEMBL10816283 0.94 TGM2 (0.47) TGM2KDM4EALDH1A1HPGDMTNR1A
SCHEMBL10364143 0.83 NCEH1 (0.53) TGM2MEN1MAPTKMT2AALDH1A1
SCHEMBL8880671 0.83 THRB (0.46) MEN1MAPTKMT2AALOX5KDM4E
SCHEMBL10363163 0.82 SLC6A4 (0.58) TGM2KMT2AKDM4EALDH1A1HPGD
SCHEMBL10362461 0.82 L3MBTL1 (0.58) TGM2MAPTKDM4EALDH1A1HPGD
SCHEMBL10804531 0.82 TGM2 (0.52) TGM2KMT2AKDM4EALDH1A1HPGD
SCHEMBL11021590 0.81 SLC6A4 (0.57) TGM2KMT2AKDM4EALDH1A1HPGD
SCHEMBL10802603 0.81 KMT2A (0.43) TGM2MEN1MAPTKMT2AKDM4E
SCHEMBL10804128 0.80 TGM2 (0.46) TGM2KDM4EALDH1A1HPGDSLC6A4
SCHEMBL10362467 0.80 TGM2 (0.44) TGM2KMT2AITK

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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