SCHEMBL7814477

SCHEMBL7814477

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.48
▸ FBP1 P09467 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MAOB P27338 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL7814475 1.00 GLO1 (0.48) GLO1FBP1MAPTMAOBNFE2L2
SCHEMBL6666853 0.86 ALDH1A1 (0.53) GLO1FBP1MAPTNFE2L2ALDH1A1
SCHEMBL11500736 0.83 GLO1 (0.56) GLO1FBP1MAPTMAOBNFE2L2
SCHEMBL11500735 0.83 GLO1 (0.56) GLO1FBP1MAPTMAOBNFE2L2
SCHEMBL8550858 0.82 ALDH1A1 (0.47) GLO1FBP1MAPTALDH1A1KMT2A
SCHEMBL11327350 0.80 GLO1 (0.58) GLO1FBP1MAPTMAOBNFE2L2
SCHEMBL11327355 0.80 GLO1 (0.58) GLO1FBP1MAPTMAOBNFE2L2
SCHEMBL3629745 0.77 GLO1 (0.61) GLO1FBP1MAPTMAOBNFE2L2
SCHEMBL1613935 0.77 GLO1 (0.61) GLO1FBP1MAPTMAOBNFE2L2
SCHEMBL3063302 0.77 GLO1 (0.61) GLO1FBP1MAPTMAOBNFE2L2

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO disclosed
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