SCHEMBL11500736

SCHEMBL11500736

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.56
▸ ALDH1A1 P00352 6/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HTT P42858 1/20 0.52
▸ FBP1 P09467 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PTGES O14684 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ TRPM8 Q7Z2W7 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAOB P27338 1/20 0.46

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
SCHEMBL11500735 1.00 GLO1 (0.56) GLO1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL6666853 0.95 ALDH1A1 (0.53) GLO1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL11327350 0.92 GLO1 (0.58) GLO1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL11327355 0.92 GLO1 (0.58) GLO1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL3629745 0.87 GLO1 (0.61) GLO1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL1613935 0.87 GLO1 (0.61) GLO1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL3063302 0.87 GLO1 (0.61) GLO1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL6367735 0.84 ALOX5 (0.47) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL7814477 0.83 GLO1 (0.48) GLO1ALDH1A1KMT2AMEN1NPSR1
SCHEMBL7814475 0.83 GLO1 (0.48) GLO1ALDH1A1KMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4182897-A ENZYME INHIBITORS FOR PROTEOLYTIC ENZYMES TORII & CO., LTD. (JP) 1980-01-08 — — US disclosed
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