SCHEMBL6417798

SCHEMBL6417798

C=C(C)C(=O)NCCOC(=O)c1cc(C(=O)OCCNC(=O)C(=C)C)cc(C(=O)OCCNC(=O)C(=C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.44
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 6/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 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
SCHEMBL14582682 0.87 SERPINE1 (0.35) SERPINE1MAPTKMT2AMEN1GAA
SCHEMBL14475397 0.84 ESR1 (0.55) MAPTKMT2AMEN1SMN1; SMN2ESR1
SCHEMBL28470406 0.84 CA12 (0.54) SERPINE1MAPTKMT2AGAAESR1
SCHEMBL10040738 0.79 THRB (0.53) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL23064187 0.78 THRB (0.38) KMT2AMEN1ALDH1A1
SCHEMBL553241 0.78 ALDH1A1 (0.43) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL16805859 0.78 THRB (0.47) KMT2AMEN1ALDH1A1
SCHEMBL14475395 0.77 MAPT (0.45) MAPTKMT2AMEN1GAASMN1; SMN2
SCHEMBL23064188 0.77 THRB (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL194228 0.77 THRB (0.55) KMT2AMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235107-B1 Photopolymerizable composition FUJIFILM CORP (JP) 2016-11-09 EP disclosed
US-6838222-B2 Recording negatives; lithography printing plates; mixture of addiiton polymer and binder FUJI PHOTO FILM CO., LTD. (JP) 2005-01-04 US disclosed
US-20020160295-A1 Recording negatives; lithography printing plates; mixture of addiiton polymer and binder FUJIFILM CORPORATION (JP) 2002-10-31 US disclosed
EP-1235107-A1 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 2002-08-28 EP disclosed