SCHEMBL8157290

SCHEMBL8157290

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ MAPK1 P28482 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GAA P10253 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TTR P02766 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35

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
SCHEMBL8158569 0.94 TDP1 (0.43) MAPTALDH1A1TDP1MAPK1HTT
SCHEMBL8156926 0.83 MEN1 (0.40) MAPTALDH1A1TDP1MAPK1HTT
SCHEMBL8150606 0.82 GLO1 (0.54) MAPTALDH1A1MAPK1KMT2ACYP1A2
SCHEMBL8551386 0.81 MAPT (0.40) MAPTALDH1A1TDP1MAPK1HTT
SCHEMBL8157287 0.78 STAT3 (0.44) MAPTALDH1A1TDP1MAPK1HTT
SCHEMBL11026162 0.78 ALDH1A1 (0.56) MAPTALDH1A1TDP1MAPK1KMT2A
SCHEMBL8152002 0.78 MAPT (0.42) MAPTALDH1A1MAPK1HTTKMT2A
SCHEMBL8158364 0.77 TDP1 (0.39) MAPTALDH1A1TDP1HTTKMT2A
SCHEMBL8158566 0.77 ALDH1A1 (0.43) MAPTALDH1A1TDP1MAPK1HTT
SCHEMBL8157860 0.76 GLO1 (0.52) MAPTALDH1A1MAPK1KMT2AKDM4E

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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