SCHEMBL220960

SCHEMBL220960

O=C(CO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.69
CES1 P23141 2/20 0.63
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
TSHR P16473 2/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
CES2 O00748 1/20 0.55
SRD5A2 P31213 1/20 0.55
HSD11B1 P28845 1/20 0.54
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
MMP8 P22894 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL240086 0.85 GSK3B (0.71) GSK3BCES1CA1CA2TDP1
SCHEMBL11510574 0.85 GSK3B (0.71) GSK3BCES1CA1CA2TDP1
SCHEMBL11705103 0.84 GSK3B (0.65) GSK3BCES1CA1CA2TDP1
SCHEMBL11713734 0.83 GSK3B (0.69) GSK3BCES1CA1CA2TDP1
SCHEMBL6155163 0.82 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL73490 0.82 GSK3B (1.00) GSK3BCES1CA1CA2TDP1
SCHEMBL2867066 0.82 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL671514 0.82 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL255510 0.82 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL2239801 0.82 GSK3B (0.67) GSK3BCES1CA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102102111-B Method for synthesizing optically-active aryl vicinal diol under catalysis of plant cells UNIV JIANGNAN 2013-06-12 CN claimed
CN-102206683-A Synthesis method of optically active aryl vicinal diol under catalysis of whole yeast cells UNIV JIANGNAN 2011-10-05 CN claimed
CN-102102111-A Method for synthesizing optically-active aryl vicinal diol under catalysis of plant cells UNIV JIANGNAN 2011-06-22 CN claimed
CN-101580445-A Method for microwave synthesis of alpha-hydroxyacetophenone series compounds UNIV JIANGNAN (CN) 2009-11-18 CN claimed
EP-4549424-A1 NEW LITHIUM EXTRACTING AGENT AND LIQUID ORGANIC MIXTURE THEREOF, AND METHOD FOR EXTRACTING LITHIUM BY MEANS OF EXTRACTION Beijing Salt Lake Technology Development Company Limited (CN) 2025-05-07 EP disclosed
CN-117534556-A Novel lithium extractant, liquid organic mixture thereof and method for extracting lithium by extraction 北京索特莱克科技发展有限公司 2024-02-09 CN disclosed
WO-2024027447-A1 NEW LITHIUM EXTRACTING AGENT AND LIQUID ORGANIC MIXTURE THEREOF, AND METHOD FOR EXTRACTING LITHIUM BY MEANS OF EXTRACTION 北京索特莱克科技发展有限公司 2024-02-08 WO disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
CN-104177241-B Alkynyl diketone compound and synthetic method thereof 华东师范大学 2017-01-11 CN disclosed
EP-1590314-B1 2-ARYL-ACETIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ FARMACEUTICI S P A (IT) 2015-08-05 EP disclosed
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP disclosed
CN-104177241-A Alkynyl diketone compound and synthetic method thereof UNIV EAST CHINA NORMAL 2014-12-03 CN disclosed
US-4061629-A 6-Amino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4061851-A 7-Amino-7-arylthio cephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-12-06 US disclosed
US-4052212-A ETHER-ESTER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JA) 1977-10-04 US disclosed
US-4029669-A 6-Benzalimino-6-arylthio penicillanic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1977-06-14 US disclosed
US-4026886-A 7-Acyl-7-arylthiocephalosporins E. R. SQUIBB & SONS, INC. (US) 1977-05-31 US disclosed
US-3994912-A INTERMEDIATES E. R. SQUIBB & SONS, INC. (US) 1976-11-30 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 US disclosed