SCHEMBL8157860

SCHEMBL8157860

C=C(C)C(=O)OCCCC(=Cc1cccc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ FBP1 P09467 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NFE2L2 Q16236 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ TRPM8 Q7Z2W7 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
SCHEMBL8150606 0.94 GLO1 (0.54) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL8158364 0.87 TDP1 (0.39) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL8156645 0.83 PTGS2 (0.43) ALDH1A1KMT2ALMNAKDM4ECYP2C9
SCHEMBL8158569 0.82 TDP1 (0.43) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL8153015 0.82 MAPT (0.43) ALDH1A1KMT2ALMNAKDM4ECYP3A4
SCHEMBL11500735 0.81 GLO1 (0.56) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL11500736 0.81 GLO1 (0.56) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL8153247 0.81 PDCD1 (0.50) KDM4EFBP1MAPT
SCHEMBL8156926 0.80 MEN1 (0.40) GLO1ALDH1A1KMT2ALMNAKDM4E
SCHEMBL6666853 0.79 ALDH1A1 (0.53) GLO1ALDH1A1KMT2ALMNAKDM4E

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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