SCHEMBL4900644

SCHEMBL4900644

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.55
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 4/20 0.51
PKM P14618 1/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 3/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
CES2 O00748 1/20 0.49
SRD5A2 P31213 1/20 0.49
TGM2 P21980 1/20 0.47
GSK3B P49841 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4533690 0.84 CES1 (0.57) CES1CA1CA2TDP1ALDH1A1
SCHEMBL295796 0.82 ALDH1A1 (0.40) CA1CA2TDP1ALDH1A1TSHR
SCHEMBL11649570 0.82 ALOX5 (0.53) CES1TDP1PTPN2PTPN1CES2
SCHEMBL9317591 0.82 MAPK1 (0.56) CES1CA1CA2TDP1ALDH1A1
SCHEMBL28634355 0.81 CES1 (0.53) CES1CA1CA2TDP1ALDH1A1
SCHEMBL28944014 0.80 ALDH1A1 (0.39) CA1CA2TDP1ALDH1A1TSHR
SCHEMBL4903307 0.80 CES2 (0.60) CES1TDP1ALDH1A1TSHRKMT2A
SCHEMBL514703 0.79 CES1 (0.61) CES1CA1CA2TDP1ALDH1A1
SCHEMBL13778136 0.79 MAPK1 (0.53) CES1CA1CA2TDP1ALDH1A1
SCHEMBL27694664 0.79 GSK3B (0.53) CES1CA1CA2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988610-B2 Electrochemical sensor system ASCENSIA DIABETES CARE HOLDINGS AG (CH) 2021-04-27 US disclosed
US-20200362158-A1 Electrochemical Sensor System BAYER HEALTHCARE LLC 2020-11-19 US disclosed
US-10655004-B2 Electrochemical sensor system ASCENSIA DIABETES CARE HOLDINGS AG (CH) 2020-05-19 US disclosed
US-10647846-B2 Electrochemical sensor system ASCENSIA DIABETES CARE HOLDINGS AG (CH) 2020-05-12 US disclosed
US-20190136038-A1 Electrochemical Sensor System BAYER HEALTHCARE LLC 2019-05-09 US disclosed
US-20190136037-A1 Electrochemical Sensor System BAYER HEALTHCARE LLC 2019-05-09 US disclosed
US-10227485-B2 Electrochemical sensor system Ascensia Diabetics Care Holdings AG (CH) 2019-03-12 US disclosed
US-10196512-B2 Method of determining an analyte concentration ASCENSIA DIABETES CARE HOLDINGS AG (CH) 2019-02-05 US disclosed
US-20170145203-A1 HYDROGEL COMPOSITION BAYER HEALTHCARE LLC 2017-05-25 US disclosed
US-9549697-B2 Hydrogel composition ASCENSIA DIABETES CARE HOLDINGS AG (CH) 2017-01-24 US disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
US-5294484-A Multilayer element SONY CORPORATION (JP) 1994-03-15 US disclosed
US-4189611-A USED TO MAKE DIOXOLANES WHICH ENDCAP AND COPOLYMERIZE WITH POLYOXYMETHYLENE GLYCOL MAKING IT HEAT RESISTANT, PRINTING PLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-02-19 US disclosed
US-4111960-A Substituted dioxolanes and photosensitive and degradable polymers useful in imaging E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-09-05 US disclosed
US-3991033-A CONTAINING O-NITROPHENYL GROUPS E. I. DU PONT DE NEMOURS & COMPANY (US) 1976-11-09 US disclosed