SCHEMBL7315142

SCHEMBL7315142

C=CN(O)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.50
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
HSD11B1 P28845 1/20 0.40
RECQL P46063 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL12342000 0.80 ALDH1A1 (0.48) AKT1ALDH1A1TSHRCES1CES2
SCHEMBL6405803 0.80 AKT1 (0.52) AKT1ALDH1A1TSHRCES1CES2
SCHEMBL20492517 0.80 AKT1 (0.52) AKT1ALDH1A1TSHRCES1CES2
SCHEMBL7327451 0.77 AKT1 (0.48) AKT1ALDH1A1TSHRCES1CES2
SCHEMBL2134534 0.77 AKT1 (0.48) AKT1ALDH1A1TSHRCES1CES2
SCHEMBL7313020 0.77 AKT1 (0.48) AKT1ALDH1A1TSHRCES1CES2
SCHEMBL5820979 0.75 AKT1 (0.47) AKT1ALDH1A1TSHRCES1CES2
SCHEMBL8415306 0.75 AKT1 (0.47) AKT1ALDH1A1TSHRCES1CES2
SCHEMBL14045487 0.75 AKT1 (0.47) AKT1ALDH1A1TSHRCES1CES2
SCHEMBL10841561 0.75 CES1 (0.48) AKT1ALDH1A1TSHRCES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US claimed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US claimed
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP claimed
US-20210357719-A1 REDOX ACTIVE POLYMER DEVICES AND METHODS OF USING AND MANUFACTURING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2021-11-18 US disclosed
US-10909437-B2 Redox active polymer devices and methods of using and manufacturing the same ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-02-02 US disclosed
US-20200279144-A1 REDOX ACTIVE POLYMER DEVICES AND METHODS OF USING AND MANUFACTURING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2020-09-03 US disclosed
US-10482367-B2 Redox active polymer devices and methods of using and manufacturing the same ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-11-19 US disclosed
US-20190205717-A1 REDOX ACTIVE POLYMER DEVICES AND METHODS OF USING AND MANUFACTURING THE SAME U.S. DEPARTMENT OF ENERGY 2019-07-04 US disclosed
US-20180260673-A1 REDOX ACTIVE POLYMER DEVICES AND METHODS OF USING AND MANUFACTURING THE SAME U.S. DEPARTMENT OF ENERGY 2018-09-13 US disclosed
US-9990578-B2 Redox active polymer devices and methods of using and manufacturing the same ARIZON BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-05 US disclosed
US-9882215-B2 Electrochemical energy storage devices comprising self-compensating polymers ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-01-30 US disclosed
US-20150332141-A1 REDOX ACTIVE POLYMER DEVICES AND METHODS OF USING AND MANUFACTURING THE SAME U.S. DEPARTMENT OF ENERGY 2015-11-19 US disclosed
US-20150333331-A1 ELECTROCHEMICAL ENERGY STORAGE DEVICES COMPRISING SELF-COMPENSATING POLYMERS U.S. DEPARTMENT OF ENERGY 2015-11-19 US disclosed
WO-2015175556-A1 REDOX ACTIVE POLYMER DEVICES AND METHODS OF USING AND MANUFACTURING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-19 WO disclosed
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5595999-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
US-5583133-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-12-10 US disclosed
US-5532232-A INHIBIT THROMBIN INDUCED PLATELET AGGREGATION; FIBRINOGEN ANTICOAGULANTS IN BLOOD HOFFMANN-LA ROCHE INC. (US) 1996-07-02 US disclosed
US-5393760-A Cardiovascular disorders, antitumor agents HOFFMANN-LA ROCHE INC. (US) 1995-02-28 US disclosed
US-5260307-A Inhibit thrombin-induced platlet aggregation and clotting of fibrogen in plasma HOFMANN-LA ROCHE INC. (US) 1993-11-09 US disclosed