SCHEMBL7104032

SCHEMBL7104032

CCCCCOC(=O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 1/20 0.55
BCHE P06276 2/20 0.54
TSHR P16473 4/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.45
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H2 P55055 1/20 0.42

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
SCHEMBL5077440 0.98 ASAH1 (0.57) ASAH1BCHETSHRMAPK1TP53
SCHEMBL11782335 0.95 BCHE (0.58) ASAH1BCHETSHRMAPK1TP53
SCHEMBL8995177 0.89 ALDH1A1 (0.62) ASAH1BCHEALDH1A1LMNAL3MBTL1
SCHEMBL31241181 0.83 L3MBTL1 (0.55) ASAH1BCHETSHRALDH1A1L3MBTL1
SCHEMBL74973 0.83 L3MBTL1 (0.55) ASAH1BCHETSHRALDH1A1L3MBTL1
SCHEMBL25249669 0.79 NAAA (0.47) BCHETSHRMAPK1TP53CYP3A4
Ethylene Glycol SCHEMBL8989789 0.79 L3MBTL1 (0.51) ASAH1BCHETSHRALDH1A1LMNA
SCHEMBL10455775 0.78 ALDH1A1 (0.78) TSHRALDH1A1LMNAL3MBTL1MEN1
SCHEMBL10455469 0.78 ALDH1A1 (0.78) TSHRALDH1A1LMNAL3MBTL1MEN1
SCHEMBL4349429 0.78 ALDH1A1 (0.51) ASAH1TSHRMAPK1TP53CYP3A4

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-0233733-A2 Process for producing N-phthaloyl-p-nitro-L-phenylalanine KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-08-26 EP claimed
EP-1342714-A1 Process for producing azine compounds and oxime compounds Daicel Chemical Industries, Ltd. (JP) 2003-09-10 EP disclosed
EP-0233733-A2 Process for producing N-phthaloyl-p-nitro-L-phenylalanine KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-08-26 EP disclosed