SCHEMBL312393

SCHEMBL312393

O=C(CO)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.68
CES1 P23141 1/20 0.68
TP53 P04637 1/20 0.66
ALDH1A1 P00352 6/20 0.64
TSHR P16473 3/20 0.64
KMO O15229 1/20 0.61
GAA P10253 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.55
MITF O75030 1/20 0.55
HSP90AA1 P07900 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL30512072 1.00 CES2 (0.68) CES2CES1TP53ALDH1A1TSHR
SCHEMBL28133147 0.98 CES2 (0.66) CES2CES1TP53ALDH1A1TSHR
SCHEMBL1986403 0.87 CES2 (0.70) CES2CES1TP53ALDH1A1TSHR
SCHEMBL29703169 0.84 CES2 (0.66) CES2CES1TP53ALDH1A1TSHR
SCHEMBL73675 0.84 CES2 (0.66) CES2CES1TP53ALDH1A1TSHR
SCHEMBL28415551 0.84 CES2 (0.66) CES2CES1TP53ALDH1A1TSHR
SCHEMBL10792180 0.84 TSHR (0.67) CES2CES1TP53ALDH1A1TSHR
SCHEMBL3910668 0.84 ALDH1A1 (0.67) CES2CES1TP53ALDH1A1TSHR
SCHEMBL602616 0.84 CES2 (0.66) CES2CES1TP53ALDH1A1TSHR
SCHEMBL2760417 0.84 CES2 (0.66) CES2CES1TP53ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394908-B Method for preparing 2-hydroxy-3-aminoacetophenone 河北师范大学 2024-03-01 CN claimed
CN-115160995-B Viscosity reducer for drilling fluid and preparation method thereof 山东诺尔生物科技有限公司 2023-08-04 CN claimed
CN-115160995-A Viscosity reducer for drilling fluid and preparation method thereof 山东诺尔生物科技有限公司 2022-10-11 CN claimed
CN-115028768-A Seawater circulating cooling water scaling inhibitor and preparation method thereof 山东诺尔生物科技有限公司 2022-09-09 CN claimed
CN-114456074-A Preparation method of 2-hydroxy-3-nitroacetophenone 南京焕然生物科技有限公司 2022-05-10 CN claimed
CN-114380781-A Preparation method of 2-cyano-8-nitro-4-oxo-4H-1-benzopyran 南京焕然生物科技有限公司 2022-04-22 CN claimed
CN-113372489-B Temperature-sensitive delayed water shutoff agent and preparation method and application thereof 山东诺尔生物科技有限公司 2021-10-29 CN claimed
CN-113372489-A Temperature-sensitive delayed water shutoff agent and preparation method and application thereof 山东诺尔生物科技有限公司 2021-09-10 CN claimed
CN-109678788-B 1, 2-diaryl indole, derivative and synthetic method thereof 湘潭大学 2021-05-04 CN claimed
CN-108911988-B Green synthesis method of 2-hydroxy-3-nitroacetophenone 昆山力田医化科技有限公司 2020-11-06 CN claimed
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US claimed
CN-106866404-A A kind of synthetic method of the different benzenpropanoic acid of 4 bromomethyl 昆山力田医化科技有限公司 2017-06-20 CN claimed
CN-106761632-A A kind of improved steam drive oil production method 臧继虎 2017-05-31 CN claimed
CN-105111175-B Synthetic method of 3-hydroxy-6-nitroflavone prepared through adopting one-step method 浙江省中明化工科技有限公司 2017-05-03 CN claimed
CN-106542996-A A kind of synthetic method of 2 hydroxyl, 3 nitro-acetophenone 昆山力田医化科技有限公司 2017-03-29 CN claimed
US-20160332016-A1 Fire Extinguishing Composition Comprising Aldoketones Compound NANO FIRE, LLC 2016-11-17 US claimed
CN-103980257-B The synthetic method of 8-nitro-2-tetrazole base-4-carbonyl chromene SUZHOU KAIYUAN MINSHENG SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2016-04-27 CN claimed
CN-105111175-A Synthetic method of 3-hydroxy-6-nitroflavone prepared through adopting one-step method ZHEJIANG PROVINCE ZHONG MING CHEMICAL SCIENCE AND TECHNOLOGY LTD COMPANY 2015-12-02 CN claimed
CN-103980257-A Synthesis method of 8-nitro-2-tetrazol-5-yl-4-oxo-4H-1-benzopyran SUZHOU KAIYUAN MINSHENG SCI & TECH CORP LTD 2014-08-13 CN claimed
CN-101560208-A Preparation method of pranlukast ANHUI AXING FOODS CO LTD (CN) 2009-10-21 CN claimed