SCHEMBL1114242

SCHEMBL1114242

CCCC(=O)CC(=O)Nc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 1/20 0.67
CYP2C19 P33261 1/20 0.60
RECQL P46063 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SOAT2 O75908 1/20 0.56
SOAT1 P35610 1/20 0.56
GAA P10253 1/20 0.56
ALOX5 P09917 1/20 0.56
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
ICMT O60725 1/20 0.53
ALB P02768 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53

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
SCHEMBL10604259 0.89 SOAT2 (0.61) MAPTALDH1A1HPGDCYP2C19RECQL
SCHEMBL10630267 0.88 SOAT2 (0.68) MAPTALDH1A1HPGDSOAT2SOAT1
SCHEMBL9888 0.86 ALDH1A1 (0.86) MAPTALDH1A1HPGDCYP2C19RECQL
SCHEMBL13678963 0.86 SOAT2 (0.71) ALDH1A1HTTSOAT2SOAT1ICMT
Hydrochloric Acid SCHEMBL23062930 0.85 ALDH1A1 (0.83) MAPTALDH1A1HPGDCYP2C19RECQL
Iodide SCHEMBL7927461 0.85 ALDH1A1 (0.83) MAPTALDH1A1HPGDCYP2C19RECQL
Bromide SCHEMBL28587932 0.85 ALDH1A1 (0.83) MAPTALDH1A1HPGDCYP2C19RECQL
Fluoride SCHEMBL27839088 0.85 ALDH1A1 (0.83) MAPTALDH1A1HPGDCYP2C19RECQL
SCHEMBL11658250 0.85 ALDH1A1 (0.83) MAPTALDH1A1HPGDCYP2C19RECQL
SCHEMBL5804865 0.85 MAPT (0.65) MAPTALDH1A1HPGDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106397241-A Eco-friendly aftertreatment method of 4-methyl-3-oxo-N-phenylvaleramide 杨锋 2017-02-15 CN disclosed
CN-106008251-A Preparation method of 2-benzylidene isobutyryl acetanilide 河南豫辰药业股份有限公司 2016-10-12 CN disclosed
EP-2279167-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-FLUORO-ALPHA-Ý2-METHYL -1-OXOPROPYL¨-GAMMA-OXO-N-ß-DIPHENYLBENZENEBUTANAMIDE AND PRODUCTS THEREFROM Arch Pharmalabs Limited (IN) 2011-02-02 EP disclosed
WO-2009144736-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-FLUORO-ALPHA-[2-METHYL -1-OXOPROPYL]-GAMMA-OXO-N-ß-DIPHENYLBENZENEBUTANAMIDE AND PRODUCTS THEREFROM ARCH PHARMALABS LIMITED (IN) 2009-12-03 WO disclosed
US-5155251-A Process for the synthesis of (5R)-1,1-dimethylethyl-6-cyano-5-hydroxy-3-oxo-hexanoate WARNER-LAMBERT COMPANY (US) 1992-10-13 US disclosed
US-4886546-A Pyrone-3-carboxamide compounds and herbicidal composition thereof DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1989-12-12 US disclosed
EP-0114059-B1 METHOD OF PREPARING A POLYAMIDE ACID COMPOSITION FOR PREPARING POLYIMIDE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-06-14 EP disclosed
US-4739083-A REACTING 1,3-DIOXAN-4-ONE WITH (AMINE OR IMINE) SUBSTITUTED AMIDE DAICEL CHEMICAL INDUSTRIES LTD. (JP) 1988-04-19 US disclosed
EP-0083690-B1 POLYAMIDE ACID COMPOSITION FOR PREPARING POLYIMIDE AND PROCESS FOR PREPARING POLYIMIDE FROM THE SAME KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-03-12 EP disclosed
US-4515915-A Polyamide acid composition for preparing polyimide KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-07 US disclosed
EP-0114059-A2 Method of preparing a polyamide acid composition for preparing polyimide KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-07-25 EP disclosed
US-4454276-A POT LIFE EXTENDING AGENT Kanegafuchi Chkagaku Kogyo Kabushiki Kaisha (JP) 1984-06-12 US disclosed
EP-0083690-A1 Polyamide acid composition for preparing polyimide and process for preparing polyimide from the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1983-07-20 EP disclosed
US-4305833-A Lubricating oils containing acetoacetanilides as antioxidants UOP INC. (US) 1981-12-15 US disclosed
US-4014679-A HERBICIDES ROUSSEL-UCLAF (FR) 1977-03-29 US disclosed