SCHEMBL8158569

SCHEMBL8158569

C=C(C)C(=O)OCCCC(=Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 9/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ POLB P06746 3/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ TTR P02766 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34

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
SCHEMBL8157290 0.94 MAPT (0.41) TDP1ALDH1A1MAPTMAPK1HTT
SCHEMBL8158364 0.84 TDP1 (0.39) TDP1ALDH1A1MAPTHTTKMT2A
SCHEMBL8157860 0.82 GLO1 (0.52) ALDH1A1MAPTMAPK1KMT2AKDM4E
SCHEMBL8158566 0.79 ALDH1A1 (0.43) TDP1ALDH1A1MAPTMAPK1HTT
SCHEMBL8551386 0.79 MAPT (0.40) TDP1ALDH1A1MAPTMAPK1HTT
SCHEMBL8153015 0.79 MAPT (0.43) ALDH1A1MAPTMAPK1HTTKMT2A
SCHEMBL8156926 0.77 MEN1 (0.40) TDP1ALDH1A1MAPTMAPK1HTT
SCHEMBL11028205 0.77 ALDH1A1 (0.63) TDP1ALDH1A1MAPTMAPK1HTT
SCHEMBL8157287 0.77 STAT3 (0.44) TDP1ALDH1A1MAPTMAPK1HTT
SCHEMBL11026162 0.77 ALDH1A1 (0.56) TDP1ALDH1A1MAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 — — US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 — — US disclosed
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