SCHEMBL298339

SCHEMBL298339

CC(O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.53
HSD17B10 Q99714 2/20 0.52
ACHE P22303 1/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
PHLPP2 Q6ZVD8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.50
EPHX1 P07099 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49

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
SCHEMBL1317230 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3917351 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMEN1KMT2A
Acetic Acid SCHEMBL29265548 0.92 MAPT (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
Acetic Acid SCHEMBL29265546 0.92 MAPT (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
Phenyl Ethanol SCHEMBL7916862 0.92 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL6157121 0.88 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL28749182 0.83 KCNH3 (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12159675 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL15617656 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
Hydrogen Peroxide SCHEMBL28470548 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119868641-A Self-assembled calcium phosphate microsphere with high specific surface area and preparation method thereof 成都贝雅医疗科技有限公司 2025-04-25 CN claimed
CN-116693397-A Purification method of p-nitrophenylacetic acid 枣阳星耀化工有限公司 2023-09-05 CN claimed
CN-112239541-A Dielectric elastomer material with high dielectric constant, low modulus and high breakdown field strength and preparation method thereof 北京化工大学 2021-01-19 CN claimed
CN-108033888-A A kind of preparation method of equal amido phenenyl alcohol 苏州盖德精细材料有限公司 2018-05-15 CN claimed
CN-107537565-A Cross linked amphoteric polymeric supported precious metal catalyst and preparation and alcohol method for oxidation 中国科学院大连化学物理研究所 2018-01-05 CN claimed
CN-107349960-A A kind of nitrogenous cross-linked polymer supported nanometer gold catalyst and its preparation and the application in aqueous medium in alcohol selective oxidation reaction 中国科学院大连化学物理研究所 2017-11-17 CN claimed
CN-104892427-B Preparation method of p-aminophenylethylamine 河南师范大学 2017-01-25 CN claimed
CN-104892427-A Preparation method of p-aminophenylethylamine UNIV HENAN NORMAL 2015-09-09 CN claimed
CN-103265457-B A kind of synthetic method of (R)-4-aminophenethyl-(2-hydroxyl-2-styroyl)-t-butyl carbamate SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2015-08-19 CN claimed
CN-103232368-B A kind of synthetic method of (R)-4-nitrophenethyl-(2-hydroxyl-2-styroyl)-t-butyl carbamate SUZHOU UUGENE BIOPHARMA CO., LTD. (CN) 2015-08-12 CN claimed
CN-101993376-B Caffeic acid p-nitrophenyl ethyl ester as well as preparation method and application of caffeic acid p-nitrophenyl ethyl ester UNIV SOUTHWEST 2013-06-12 CN claimed
CN-101565679-B Rhodotorula cell and method for producing optical active alcohols by asymmetric conversion UNIV CHINA PHARMA 2013-05-08 CN claimed
CN-102459216-A Inhibitors of renal outer medullary potassium channels MERCK SHARP & DO 2012-05-16 CN claimed
CN-101993376-A Caffeic acid p-nitrophenyl ethyl ester as well as preparation method and application of caffeic acid p-nitrophenyl ethyl ester UNIV SOUTHWEST 2011-03-30 CN claimed
CN-101565679-A Rhodotorula cell and method for producing optical active alcohols by asymmetric conversion UNIV CHINA PHARMA (CN) 2009-10-28 CN claimed
US-20070184047-A1 Nitrophenyls and related compounds and thimerosal for the inhibition of immune related cell or tissue destruction CANADIAN BLOOD SERVICES (CA) 2007-08-09 US claimed
EP-1800673-A2 Nitrophenyls and related compounds and thimerosal for the inhibition of immune related cell or tissue destruction Canadian Blood Services (CA) 2007-06-27 EP claimed
WO-1995029184-A1 POLYCATIONIC NUCLEIC BASES AND OLIGONUCLEOTIDES CONTAINING SAME UNIVERSITE LOUIS PASTEUR (FR) 1995-11-02 WO claimed
US-5164515-A Chemical compounds WENDSTONE CHEMICALS PLC (GB) 1992-11-17 US claimed
EP-0239354-A2 2,2-Dinitrophenylethane derivatives and their application as protecting compounds Wendstone Chemicals P.L.C. (GB) 1987-09-30 EP claimed