SCHEMBL4375147

SCHEMBL4375147

Cc1ccc(CCCC(N)=O)cc1.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
FFAR1 O14842 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IGF1R P08069 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44

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
SCHEMBL661277 0.98 PLAAT3 (0.51) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL11356452 0.96 TDP1 (0.50) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4367534 0.96 TDP1 (0.50) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
Water SCHEMBL28390285 0.96 TDP1 (0.50) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL11357520 0.96 TDP1 (0.50) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
Hydrochloric Acid SCHEMBL1421839 0.96 TDP1 (0.50) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
Methyl Alcohol SCHEMBL28046580 0.96 TDP1 (0.50) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
Alcohol SCHEMBL29199086 0.92 TDP1 (0.48) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL660116 0.92 IGF1R (0.52) TDP1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL20330088 0.90 NAAA (0.52) TDP1PLAAT3PLAAT5PLAAT2PLAAT4

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
CN-103271083-B Multi-functional ionic liquid compositions 阿拉巴马大学 2017-08-11 CN disclosed
CN-106061940-A Compounds for treating diabetes and complications resulting therefrom 本古里安大学内盖夫研究发展局 2016-10-26 CN disclosed
CN-103271083-A Multi-functional ionic liquid compositions UNIV ALABAMA 2013-09-04 CN disclosed
CN-101326275-B Multifunctional ionic liquid composition UNIV ALABAMA 2013-06-05 CN disclosed
CN-101137368-B Roflumilast for the treatment of diabetes NYCOMED GMBH 2012-05-16 CN disclosed
CN-102225046-A Transdermal drug delivery formulation NUVO RES INC 2011-10-26 CN disclosed
CN-101296691-B Transdermal drug delivery dosage form NUVO RES INC 2011-07-27 CN disclosed
US-20090289071-A1 Flow Through Components with an Antimicrobial Lining THE BOC GROUP, INC. (US) 2009-11-26 US disclosed
US-20090291021-A1 Methods for Preventing Microbial Colonization of Gas Cylinders and Coupling Components THE BOC GROUP, INC. (US) 2009-11-26 US disclosed
CN-101326275-A Multifunctional ionic liquid composition UNIV ALABAMA (US) 2008-12-17 CN disclosed
US-20080173651-A1 Antimicrobial Lining for Gas Cylinders and Coupling Components THE BOC GROUP, INC. 2008-07-24 US disclosed
CN-101137368-A Roflumilast for the treatment of diabetes NYCOMED GMBH (DE) 2008-03-05 CN disclosed
EP-1768638-A2 ANTIMICROBIAL LINING FOR GAS CYLINDERS AND COUPLING COMPONENTS THE BOC GROUP, INC. (US) 2007-04-04 EP disclosed
WO-2006088484-A2 ANTIMICROBIAL LINING FOR GAS CYLINDERS AND COUPLING COMPONENTS THE BOC GROUP, INC. (US) 2006-08-24 WO disclosed
US-5912120-A DIAGNOSING PATIENT WITH S-MEPHENYTOIN 4'-HYDROXYLASE DEFICIENCY BY ANALYZING NUCLEIC ACIDS FOR POLYMORPHISMS; AVOIDING PRESCRIBING DRUGS TO PATIENTS WHO CANNOT METABOLIZE THEM THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES, (US) 1999-06-15 US disclosed
US-5786191-A SCREENING A DRUG TEST BY METABOLIZING THE DRUG WITH A CYTOCHROME POLYPEPTIDE UNITED STATES OF AMERICA, THE, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 1998-07-28 US disclosed
WO-1995030766-A1 CLONING, EXPRESSION AND DIAGNOSIS OF HUMAN CYTOCHROME P450 2C19: THE PRINCIPAL DETERMINANT OF S-MEPHENYTOIN METABOLISM THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-16 WO disclosed
US-5047429-A Treatment of oedema HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
US-4933178-A Metal-based antimicrobial coating BIOINTERFACE TECHNOLOGIES, INC. (US) 1990-06-12 US disclosed
EP-0338415-A2 Use of sulphonylureas in the treatment of oedema HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-25 EP disclosed