SCHEMBL10364018

SCHEMBL10364018

C=CC(=O)NCCCCOCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 4/20 0.48
▸ RAB9A P51151 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ MAOB P27338 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ PTAFR P25105 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL10364055 0.86 TGM2 (0.61) TGM2MAPTLMNAPKM
SCHEMBL10364093 0.83 CHRNB2 (0.50) TGM2ALDH1A1HPGDMAPTKMT2A
SCHEMBL10363988 0.82 TGM2 (0.52) TGM2ALDH1A1HPGDTSHRKMT2A
SCHEMBL10362446 0.81 TGM2 (0.69) TGM2RAB9AALDH1A1KDM4ELMNA
SCHEMBL10803487 0.79 TGM2 (0.58) TGM2GAA
SCHEMBL10362666 0.79 TGM2 (0.48) TGM2GAALMNAPKM
SCHEMBL10362420 0.78 TGM2 (0.66) TGM2RAB9AALDH1A1KDM4ELMNA
SCHEMBL20819428 0.78 RAB9A (0.50) RAB9AALDH1A1HPGDMAOBMAOA
SCHEMBL16618597 0.78 ALDH1A1 (0.60) TGM2RAB9AALDH1A1TSHRMAPT
SCHEMBL10808998 0.77 RAB9A (0.53) TGM2RAB9AALDH1A1HPGDTSHR

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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