SCHEMBL8158364

SCHEMBL8158364

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ BRAF P15056 1/20 0.35
▸ GLO1 Q04760 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
SCHEMBL8156926 0.93 MEN1 (0.40) TDP1HTTPOLBAPEX1MEN1
SCHEMBL8157860 0.87 GLO1 (0.52) MEN1KMT2AFBP1KDM4ESMN1; SMN2
SCHEMBL8151217 0.84 HTT (0.43) TDP1HTTPOLBAPEX1MEN1
SCHEMBL8158569 0.84 TDP1 (0.43) TDP1HTTPOLBAPEX1KMT2A
SCHEMBL8157301 0.83 GRIK1 (0.44) TDP1HTTPOLBAPEX1ALOX5
SCHEMBL8150711 0.83 MEN1 (0.44) TDP1HTTPOLBAPEX1MEN1
SCHEMBL8153015 0.83 MAPT (0.43) HTTPOLBMEN1KMT2AKDM4E
SCHEMBL8158359 0.82 POLB (0.41) TDP1HTTPOLBAPEX1MEN1
SCHEMBL8156581 0.82 POLB (0.47) TDP1HTTPOLBAPEX1KMT2A
SCHEMBL8381971 0.81 POLB (0.45) TDP1HTTPOLBAPEX1KDM4E

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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