SCHEMBL628245

SCHEMBL628245

O=C(Cc1ccccc1)O[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PAM P19021 1/20 0.52
TSHR P16473 1/20 0.50
AKR1B1 P15121 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CPA1 P15085 1/20 0.42

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
SCHEMBL9801437 0.83 CES2 (0.57) CES2CES1ALDH1A1MAPK1L3MBTL1
SCHEMBL27453667 0.81 TDP1 (0.59) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL27657958 0.80 CES2 (0.53) CES2CES1ALDH1A1MAPK1L3MBTL1
SCHEMBL9258808 0.79 FFAR1 (0.46) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL27582146 0.79 HDAC1 (0.55) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL28267077 0.79 CES2 (0.47) CES2CES1ALDH1A1MAPK1L3MBTL1
SCHEMBL28145122 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL28297445 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MEN1
SCHEMBL664857 0.74 ALDH1A1 (0.65) CES2CES1ALDH1A1MAPK1L3MBTL1
SCHEMBL248113 0.74 ALDH1A1 (0.65) CES2CES1ALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083631-B A kind of preparation method of equal amido phenenyl acid 平光制药股份有限公司 2018-11-16 CN claimed
CN-106083631-A A kind of preparation method of equal amido phenenyl acid 平光制药股份有限公司 2016-11-09 CN claimed
CN-1144092-A Non-steroid anti-inflammatory agents capable of releasing nitric oxide, their preparing method and use CAI XIONG (CN) 1997-03-05 CN claimed
EP-0330406-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-08-30 EP claimed
CN-114345413-B Aromatic acid coordinated iron-cobalt nitrogen fixation catalyst and preparation method and application thereof 杭州师范大学 2024-06-04 CN disclosed
US-11235330-B2 Hydrogel membrane and methods for selective retrieval of microbial targets KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-02-01 US disclosed
US-20200330984-A1 HYDROGEL MEMBRANE AND METHODS FOR SELECTIVE RETRIEVAL OF MICROBIAL TARGETS NATIONAL SCIENCE FOUNDATION 2020-10-22 US disclosed
CN-105418706-B A kind of macrolides antimicrobial compound and the preparation method and application thereof 华南理工大学 2019-05-17 CN disclosed
WO-2019071163-A1 HYDROGEL MEMBRANE AND METHODS FOR SELECTIVE RETRIEVAL OF MICROBIAL TARGETS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2019-04-11 WO disclosed
CN-108997129-A A kind of synthetic method of o-nitrophenyl acetic acid 江苏师范大学 2018-12-14 CN disclosed
CN-107556385-A Bicyclic peptide Fc 4C and its application in antibody test and expression of recombinant proteins 清华大学 2018-01-09 CN disclosed
CN-107417652-A A kind of synthesis technique of azoxystrobin intermediate benzofuranone 安徽广信农化股份有限公司 2017-12-01 CN disclosed
CN-1462738-A O-nitrophenylacetic acid and catalysis synthesis of phase transfer TAIYUAN TECHNICAL UNIV (CN) 2003-12-24 CN disclosed
CN-1462738-A O-nitrophenylacetic acid and catalysis synthesis of phase transfer TAIYUAN TECHNICAL UNIV (CN) 2003-12-24 CN disclosed
CN-1058011-C 13-substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-11-01 CN disclosed
CN-1112119-A 13-substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 1995-11-22 CN disclosed
US-4963463-A Radiation-sensitive resin composition with admixtures of O-quinone diazide and acid esters having nitrobenzyl or cyanobenzyl group JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1990-10-16 US disclosed
EP-0241006-B1 3,3-DISUBSTITUTED INDOLINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-28 EP disclosed
EP-0330406-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-08-30 EP disclosed
EP-0107979-B1 NOVEL PHENYL-SUBSTITUTED SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-10-12 EP disclosed