SCHEMBL8995791

SCHEMBL8995791

CCCC(=O)OC(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
GSK3B P49841 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 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
SCHEMBL20485512 0.91 ALDH1A1 (0.58) ALDH1A1GAASMN1; SMN2L3MBTL1NPC1
SCHEMBL6511114 0.90 ALDH1A1 (0.46) ALDH1A1GAAKDM4EPOLBCTDSP1
SCHEMBL9007854 0.87 GAA (0.51) ALDH1A1GAAKDM4EPOLBSMN1; SMN2
SCHEMBL8995839 0.84 TDP1 (0.52) ALDH1A1GAASMN1; SMN2L3MBTL1NPC1
SCHEMBL10579985 0.84 HSD17B3 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4688387 0.82 HTR7 (0.51) ALDH1A1GAAKDM4EPOLBSMN1; SMN2
SCHEMBL8591084 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBCTDSP1L3MBTL1
Hydrogen Peroxide SCHEMBL29219018 0.81 LMNA (0.56) ALDH1A1SMN1; SMN2L3MBTL1CES2CES1
SCHEMBL266279 0.81 LMNA (0.56) ALDH1A1SMN1; SMN2L3MBTL1CES2CES1
SCHEMBL8995775 0.81 TSHR (0.46) ALDH1A1KDM4EPOLBKMT2AHDAC3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105523874-A Preparation method of 2,2-dihalo-1,3-dicarbonyl derivatives ZHANGJIAGANG INST IND TECHNOLOGIES SOOCHOW UNIV 2016-04-27 CN claimed
CN-105461496-A Preparation method for 2-halogenated-1,3-dicarbonyl derivative CHINASUN SPECIALTY PRODUCTS CO LTD 2016-04-06 CN claimed
CN-110552018-B Method for synthesizing 1-naphthol compound based on electrochemical intermolecular cyclization 广西师范大学 2021-03-05 CN disclosed
CN-108440291-B Method for dehydrogenation and self-coupling of 1, 3-dicarbonyl compound under catalysis of visible light 南京工业大学 2020-08-28 CN disclosed
CN-110552018-A Method for synthesizing 1-naphthol compound based on electrochemical intermolecular cyclization UNIV GUANGXI NORMAL 2019-12-10 CN disclosed
CN-110437244-A A kind of synthetic method of Frutinone class compound UNIV YANGTZE 2019-11-12 CN disclosed
CN-105523874-A Preparation method of 2,2-dihalo-1,3-dicarbonyl derivatives ZHANGJIAGANG INST IND TECHNOLOGIES SOOCHOW UNIV 2016-04-27 CN disclosed
CN-105461496-A Preparation method for 2-halogenated-1,3-dicarbonyl derivative CHINASUN SPECIALTY PRODUCTS CO LTD 2016-04-06 CN disclosed
CN-105418596-A 1-[3-butyl-1(3H)-isobenzofuranone-6-yl]-1H-pyrazol-5(4H)-one derivative as well as preparation method and pharmaceutical application UNIV WUHAN SCIENCE & TECH 2016-03-23 CN disclosed
CN-105018399-A Screening method of beta-carbonyl carboxylic ester reductase UNIV CHANGZHOU 2015-11-04 CN disclosed
CN-101918497-B Pigment composition for red color filter, method for producing the same, colored composition using the same, and color filter TOYO INK MFG CO 2014-05-28 CN disclosed
US-5096920-A Liver disorders KALI-CHEMIE PHARMA GMBH (DE) 1992-03-17 US disclosed
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed
US-5002951-A 2-amino-5-halo-4-pyrimidinol for bactericides and antiprotozoa agent THE UPJOHN COMPANY (US) 1991-03-26 US disclosed
US-4665077-A IMMUNOREGULATORY AGENTS THE UPJOHN COMPANY (US) 1987-05-12 US disclosed
CN-85106626-A The preparation of 4-amino-2-phenyl-quinoline 1987-03-25 CN disclosed
US-4619933-A 6-aryl pyrimidines for treating aplastic anemia THE UPJOHN COMPANY (US) 1986-10-28 US disclosed
US-4543248-A Method for immunoregulation with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-09-24 US disclosed
US-4507302-A Method for treating arthritis with 6-aryl pyrimidine compounds THE UPJOHN COMPANY (US) 1985-03-26 US disclosed
US-4222739-A Certain bis(phenyl)-benzodifurans CIBA-GEIGY CORPORATION (US) 1980-09-16 US disclosed