SCHEMBL9364417

SCHEMBL9364417

CCCCCCOC(=O)/C(=C\C(N)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ESR1 P03372 1/20 0.44
MAPT P10636 6/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MGLL Q99685 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX12 P18054 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL9364421 1.00 ALDH1A1 (0.46) ALDH1A1ESR1MAPTNPC1RAB9A
SCHEMBL9363923 0.85 TSHR (0.47) ALDH1A1MAPTL3MBTL1TSHRPKM
SCHEMBL9363917 0.85 TSHR (0.47) ALDH1A1MAPTL3MBTL1TSHRPKM
SCHEMBL9360090 0.84 ALDH1A1 (0.48) ALDH1A1ESR1MAPTNPC1RAB9A
SCHEMBL9360086 0.84 ALDH1A1 (0.48) ALDH1A1ESR1MAPTNPC1RAB9A
SCHEMBL9359700 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL9359707 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL9359884 0.83 LMNA (0.49) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL9359888 0.83 LMNA (0.49) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL20597787 0.79 ALDH1A1 (0.50) ALDH1A1ESR1MAPTNPC1RAB9A

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-0393713-B1 Process for the preparation of N-substituted maleimides TOSOH CORP (JP) 1994-06-29 EP disclosed
US-5087705-A Heating N-substituted maleamic acid monoester in presence of acid catalyst SHIN-DAIKYOWA PETROCHEMICAL CO., LTD. (JP) 1992-02-11 US disclosed
EP-0393713-A1 Process for the preparation of N-substituted maleimides Tosoh Corporation (JP) 1990-10-24 EP disclosed