SCHEMBL2728485

SCHEMBL2728485

CCC(=O)OCCN=C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
GAA P10253 2/20 0.36
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
DGKA P23743 1/20 0.32
DNM1 Q05193 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
MGAM O43451 1/20 0.30

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
SCHEMBL28391190 0.88 NAAA (0.52) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL15976519 0.84 DGKA (0.42) NAAAALDH1A1KDM4EBLMDGKA
SCHEMBL27718190 0.84 ALDH1A1 (0.38) NAAAGAAHTTALDH1A1KDM4E
SCHEMBL15976528 0.81 DGKA (0.53) NAAAALDH1A1KDM4EDGKADNM1
SCHEMBL21891774 0.81
SCHEMBL11854167 0.81 ADRA2A (0.35) BLMDGKADNM1TDP1ADRA2A
Acetic Acid SCHEMBL6156689 0.80 DGKA (0.39) NAAAALDH1A1BLMDGKADNM1
SCHEMBL28699927 0.79 DGKA (0.41) ALDH1A1CYP1A2BLMDGKADNM1
SCHEMBL733549 0.78
SCHEMBL27898987 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103370303-B The alefinically unsaturated compounds of stabilized band isocyanate group SHOWA DENKO KABUSHIKI KAISHA (JP) 2015-09-30 CN claimed
CN-103370303-A Stabilized isocyanate group-containing ethylene-based unsaturated compound SHOWA DENKO KK 2013-10-23 CN claimed
CN-109206580-B Hybrid cross-linked dynamic polymer 厦门天策材料科技有限公司 2022-08-02 CN disclosed
CN-106848406-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 CN disclosed
CN-111048841-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-21 CN disclosed
CN-105633345-B Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-01-17 CN disclosed
CN-109206580-A A kind of hybrid cross-linked dynamic aggregation object 翁秋梅 2019-01-15 CN disclosed
CN-107207446-A Five-membered C-N linked aryl thioether and aryl sulfoxide derivatives as pest control agents 拜耳作物科学股份公司 2017-09-26 CN disclosed
US-9583788-B2 Nonaqueous electrolytic solution and energy storage device using same UBE INDUSTRIES, LTD. (JP) 2017-02-28 US disclosed
US-9583788-B2 Nonaqueous electrolytic solution and energy storage device using same UBE INDUSTRIES, LTD. (JP) 2017-02-28 US disclosed
US-9434884-B2 Flame-retarding oligomeric brominated urethane compositions LUBRIZOL ADVANCED MATERIALS, INC. (US) 2016-09-06 US disclosed
EP-0912505-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2001-10-24 EP disclosed
US-6133319-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-17 US disclosed
EP-0912505-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-05-06 EP disclosed
CN-1201454-A Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists SEARLE & CO (US) 1998-12-09 CN disclosed
WO-1997049680-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed
US-4387058-A HERBICIDES, FUNGICIDES, OR BACTERICIDES THE DOW CHEMICAL COMPANY (US) 1983-06-07 US disclosed
US-4375546-A FUNGICIDES, HERBICIDES THE DOW CHEMICAL COMPANY (US) 1983-03-01 US disclosed
US-4349685-A 5-Substituted-benzoxathiol-2-ones THE DOW CHEMICAL COMPANY (US) 1982-09-14 US disclosed
US-4278809-A Process for preparing 2-isocyanatoalkyl esters of organic carboxylic acids THE DOW CHEMICAL COMPANY (US) 1981-07-14 US disclosed