SCHEMBL3115389

SCHEMBL3115389

C=CCCCCOCc1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
CYP2D6 P10635 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 3/20 0.43
CYP3A4 P08684 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.41
CYP2C19 P33261 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA1 P14867 1/20 0.39

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
SCHEMBL14129380 0.85 CYP3A4 (0.43) ALDH1A1CYP2D6L3MBTL1MAPTCYP3A4
SCHEMBL3119487 0.83 ALDH1A1 (0.48) ALDH1A1CYP2D6L3MBTL1MAPTCYP3A4
SCHEMBL5058658 0.81 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1MAPTCYP3A4
SCHEMBL3115407 0.80 ALDH1A1 (0.43) ALDH1A1CYP2D6L3MBTL1MAPTCYP3A4
SCHEMBL3121371 0.80 ALDH1A1 (0.43) ALDH1A1CYP2D6L3MBTL1MAPTCYP3A4
SCHEMBL3123758 0.80 ALDH1A1 (0.45) ALDH1A1CYP2D6L3MBTL1MAPTCYP3A4
SCHEMBL26365149 0.79 SMN1; SMN2 (0.48) ALDH1A1CYP2D6L3MBTL1MAPTCYP3A4
SCHEMBL18314720 0.77 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1MAPTCYP3A4
SCHEMBL14129382 0.77 RAB9A (0.46) ALDH1A1CYP2D6L3MBTL1MAPTCYP3A4
SCHEMBL3126698 0.76 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTKDM4ERAB9A

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-1437625-B1 Image-forming composition and photosensitive lithographic plate using same OKAMOTO CHEMICAL INDUSTRY CO L (JP) 2010-04-07 EP disclosed
US-7112397-B2 Image forming composition and photosensitive lithographic plate using same OKAMOTO CHEMICAL INDUSTRY CO., LTD. (JP) 2006-09-26 US disclosed
EP-1437625-A1 Image-forming composition and photosensitive lithographic plate using same Okamoto Chemical Industry Co., Ltd (JP) 2004-07-14 EP disclosed
US-20040131967-A1 Image forming composition and photosensitive lithographic plate using same OKAMOTO CHEMICAL INDUSTRY CO., LTD. 2004-07-08 US disclosed