SCHEMBL9705385

SCHEMBL9705385

NC(=O)N(CCCC(=O)O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL5320045 0.79 PARP10 (0.44) MAPK1SLC6A3L3MBTL1ALOX5
SCHEMBL27804615 0.78 HDAC3 (0.49) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL21022934 0.76 L3MBTL1 (0.46) L3MBTL1ALOX5LTA4H
SCHEMBL2906610 0.76 HDAC3 (0.46) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL8043858 0.75 HTT (0.51) MAPK1SLC6A3SMN1; SMN2HTTL3MBTL1
SCHEMBL23616312 0.74 L3MBTL1 (0.44) MAPK1SLC6A3SMN1; SMN2HTTL3MBTL1
SCHEMBL8550259 0.74 PLA2G10 (0.49) L3MBTL1ALOX5LTA4H
SCHEMBL9775331 0.73 L3MBTL1 (0.49) L3MBTL1
SCHEMBL1990360 0.73 PARP10 (0.47) MAPK1SLC6A3L3MBTL1ALOX5
SCHEMBL8545520 0.73 PPIB (0.51) SMN1; SMN2L3MBTL1MAPTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221958-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1992-10-28 EP disclosed
US-4977153-A BETA ADRENOCEPTOR BLOCKING AGENTS Louis, William J. (AU) 1990-12-11 US disclosed
EP-0221958-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-11-25 EP disclosed
EP-0221958-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. LOUIS WILLIAM JOHN (AU) 1987-05-20 EP disclosed
WO-1986006717-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LOUIS WILLIAM JOHN (AU) 1986-11-20 WO disclosed