SCHEMBL9718022

SCHEMBL9718022

O=C(CC(=O)N1CCCCC1=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.57
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
HRH3 Q9Y5N1 3/20 0.51
NAAA Q02083 1/20 0.51
FAAH O00519 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL11175534 0.82 NAAA (0.66) EGFRRAB9ANPC1CASP3SENP8
SCHEMBL9718009 0.80 LMNA (0.47) RAB9ANPC1CASP3SMN1; SMN2KDM4E
SCHEMBL9718167 0.74 NR4A1 (0.70) EGFRRAB9ANPC1CASP3SENP7
SCHEMBL29623581 0.72 NR4A1 (0.62) EGFRRAB9ANPC1CASP3SENP7
SCHEMBL520364 0.72 NPC1 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL12987281 0.72 MAOB (0.71) EGFRRAB9ANPC1NR4A1NR4A2
SCHEMBL11683646 0.72 PTPN1 (0.72) EGFRRAB9ANPC1NR4A1NR4A2
SCHEMBL31350203 0.71 NPC1 (0.57) RAB9ANPC1HRH3SMN1; SMN2GAA
SCHEMBL15420889 0.71 NPC1 (0.76) EGFRRAB9ANPC1CASP3SENP8
SCHEMBL6988048 0.71 NAAA (0.55) EGFRRAB9ANPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312604-B1 1-(2-(4-HYDROXYBENZOYL)ETHANOYL)-2-PIPERIDONE, PROCESS FOR ITS PREPARATION, AND ALCOHOLIC FERMENTATION ACCELERATOR CONTAINING IT AS EFFECTIVE INGREDIENT TAKI CHEMICAL CO., LTD. (JP) 1992-07-08 EP disclosed
US-4908373-A 1-[2-(4-Hydroxybenzoyl)ethanoyl]-2-piperidone and a process for production as well as alcohol fermentation promoter containing the same as effective ingredient TAKI CHEMICAL CO., LTD. (JP) 1990-03-13 US disclosed
EP-0312604-A1 1-(2-(4-HYDROXYBENZOYL)ETHANOYL)-2-PIPERIDONE, PROCESS FOR ITS PREPARATION, AND ALCOHOLIC FERMENTATION ACCELERATOR CONTAINING IT AS EFFECTIVE INGREDIENT TAKI CHEMICAL CO., LTD. (JP) 1989-04-26 EP disclosed