SCHEMBL9147377

SCHEMBL9147377

CC1(C(=O)O)CC=C([N+](=O)[O-])O1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL29098139 0.79
SCHEMBL11374624 0.77 CYP1A2 (0.32) AKR1B1ALDH1A1NPC1RAB9A
SCHEMBL11731888 0.72 MAPK1 (0.32) AKR1B1MAPTMAPK1
SCHEMBL3166465 0.72 PTGS1 (0.37)
SCHEMBL11744646 0.69 MALT1 (0.31)
SCHEMBL8616351 0.68 CYP1A2 (0.32)
SCHEMBL8768629 0.67 CYP1A2 (0.33) AKR1B1
SCHEMBL10335043 0.62 AKR1B1 (0.45) AKR1B1ALDH1A1NPC1RAB9AMAPT
SCHEMBL10623983 0.61 TDP1 (0.31) TDP1ALDH1A1MAPK1
SCHEMBL20508978 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107085056-B A kind of gaschromatographic mass spectrometry detection method of nitrofurazone biological marker 5- nitro -2- furfural 浙江省海洋水产研究所 2019-09-03 CN claimed
CN-105562352-B A kind of refuse classification screen device 山西安捷尔工业机械有限公司 2017-10-13 CN claimed
CN-107085056-A A kind of gaschromatographic mass spectrometry detection method of the furfural of 5 nitro of nitrofurazone biological marker 2 浙江省海洋水产研究所 2017-08-22 CN claimed
CN-105562352-A Garbage separating screen device SHANXI ANJIEER IND MACHINERY CO LTD 2016-05-11 CN claimed
CN-107085056-B A kind of gaschromatographic mass spectrometry detection method of nitrofurazone biological marker 5- nitro -2- furfural 浙江省海洋水产研究所 2019-09-03 CN disclosed
CN-105562352-B A kind of refuse classification screen device 山西安捷尔工业机械有限公司 2017-10-13 CN disclosed
CN-107085056-A A kind of gaschromatographic mass spectrometry detection method of the furfural of 5 nitro of nitrofurazone biological marker 2 浙江省海洋水产研究所 2017-08-22 CN disclosed
CN-205217386-U Garbage sorting sieve device SHANXI ANJIEER IND MACHINERY CO LTD 2016-05-11 CN disclosed
CN-105562352-A Garbage separating screen device SHANXI ANJIEER IND MACHINERY CO LTD 2016-05-11 CN disclosed
CN-102558117-B Method for preparing 5-nitro-2-furoate from abandoned biomass BEIJING JINJIAO BIOMASS CHEMICAL CO., LTD. (CN) 2014-10-08 CN disclosed
CN-102558117-A Method for preparing 5-nitro-2-furoate from abandoned biomass BEIJING JINJIAO BIOMASS CHEMICAL CO LTD 2012-07-11 CN disclosed
CN-1720240-B Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORP 2010-10-27 CN disclosed
CN-1990457-A 3,4-di-substituted cyclobutene-1,2-diones as cxc-chemokine receptor ligands SCHERING CORP (US) 2007-07-04 CN disclosed
CN-1289471-C 3, 4-disubstituted cyclobutene-1, 2-diones as CXC-chemokine receptor ligands SCHERING CORP (US) 2006-12-13 CN disclosed
CN-1759095-A N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARM INC (US) 2006-04-12 CN disclosed
CN-1720240-A Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORP (US) 2006-01-11 CN disclosed
CN-1516687-A 3, 4-disubstituted cyclobutene-1, 2-diones as CXC-chemokine receptor ligands ���鹫˾ 2004-07-28 CN disclosed
US-5451600-A FOR TREATMENT OF INFLAMMATORY DISEASES AND TRAUMA INDUCED INFLAMMATION HOFFMANN-LA ROCHE INC. (US) 1995-09-19 US disclosed