SCHEMBL10364184

SCHEMBL10364184

C=CC(=O)NCCCCOc1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NCEH1 Q6PIU2 1/20 0.49
▸ TGM2 P21980 11/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GAA P10253 1/20 0.37

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 0.84 TGM2 (0.47) NCEH1TGM2ALDH1A1KDM4EHPGD
SCHEMBL10364143 0.82 NCEH1 (0.53) NCEH1TGM2ALDH1A1HPGDMAPT
SCHEMBL10363163 0.81 SLC6A4 (0.58) TGM2ALDH1A1KDM4EHPGDSLC6A4
SCHEMBL10362461 0.81 L3MBTL1 (0.58) TGM2ALDH1A1KDM4EHPGDSLC6A4
SCHEMBL10804531 0.81 TGM2 (0.52) TGM2ALDH1A1KDM4EHPGDSLC6A4
SCHEMBL11021590 0.80 SLC6A4 (0.57) TGM2ALDH1A1KDM4EHPGDSLC6A4
SCHEMBL10805912 0.80 ALDH1A1 (0.42) TGM2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL10363273 0.79 RAB9A (0.56) TGM2ALDH1A1KDM4EMAPTMEN1
SCHEMBL10804128 0.79 TGM2 (0.46) NCEH1TGM2ALDH1A1KDM4EHPGD
SCHEMBL10364770 0.79 TGM2 (0.43) TGM2ALDH1A1KDM4EHPGDSLC6A4

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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