SCHEMBL11374397

SCHEMBL11374397

NC(=O)CC(CC(N)=O)c1ccccc1OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ MAPT P10636 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ SLC6A3 Q01959 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 2/20 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
SCHEMBL11077027 0.79 POLB (0.66) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL11086924 0.76 L3MBTL1 (0.50) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL11069378 0.76 HTT (0.52) NPSR1L3MBTL1POLBHTTPARP10
SCHEMBL20592356 0.75 KMT2A (0.53) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL26490327 0.74 KMT2A (0.56) NPSR1L3MBTL1POLBHTTMAPT
SCHEMBL725404 0.74 KMT2A (0.76) NPSR1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL11072867 0.73 TNF (0.47) NPSR1L3MBTL1POLBHTTMAPT
Bromide SCHEMBL29588519 0.72 KMT2A (0.73) NPSR1POLBMAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL16050041 0.72 KMT2A (0.73) NPSR1POLBMAPTKMT2ASMN1; SMN2
SCHEMBL8083703 0.72 KMT2A (0.53) NPSR1POLBMAPTKMT2ASMN1; SMN2

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-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 — — US disclosed
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