SCHEMBL294458

SCHEMBL294458

NC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.96
LMNA P02545 1/20 0.96
MAPK1 P28482 1/20 0.96
EPHX1 P07099 1/20 0.50
ANPEP P15144 2/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP2C19 P33261 2/20 0.45

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
SCHEMBL1262139 1.00 KDM4E (0.96) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1131200 1.00 KDM4E (0.96) KDM4ELMNAMAPK1EPHX1ANPEP
Acetic Acid SCHEMBL8841092 0.91 KDM4E (0.81) KDM4ELMNAMAPK1EPHX1ANPEP
Acetic Acid SCHEMBL8841087 0.91 KDM4E (0.81) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL7875715 0.89 KDM4E (0.77) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL7875720 0.89 KDM4E (0.77) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1153586 0.88 KDM4E (0.75) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1153584 0.88 KDM4E (0.75) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL7103304 0.84 KDM4E (0.69) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1153290 0.84 KDM4E (0.69) KDM4ELMNAMAPK1SLC6A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103265528-B Esomeprazole magnesium preparation method HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2015-05-06 CN claimed
CN-103265528-A Esomeprazole magnesium preparation method HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2013-08-28 CN claimed
CN-1331835-C Preparation method of optically active beta-hydroxy ketone UNIV WUHAN (CN) 2007-08-15 CN claimed
CN-1785950-A Preparation method of optically active beta-hydroxy ketone UNIV WUHAN (CN) 2006-06-14 CN claimed
CN-105339352-B The method that pyrazolecarboxamide is prepared for stereoselectivity 先正达参股股份有限公司 2018-06-29 CN disclosed
CN-105339352-A Process for the stereoselective preparation of a pyrazole-carboxamide SYNGENTA PARTICIPATIONS AG 2016-02-17 CN disclosed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US disclosed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US disclosed
US-9175006-B2 Compositions and methods for cyclofructans as separation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-11-03 US disclosed
CN-103265528-B Esomeprazole magnesium preparation method HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2015-05-06 CN disclosed
US-8759555-B2 Stereoselective synthesis of vitamin D analogues LEO PHARMA A/S (DK) 2014-06-24 US disclosed
CN-103265528-A Esomeprazole magnesium preparation method HUNAN QIANJIN XIANGJIANG PHARM CO LTD 2013-08-28 CN disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed
EP-0305180-B1 Enantioselective reduction of ketones HARVARD COLLEGE (US) 1995-03-22 EP disclosed
EP-0485069-B1 Process for producing optically active amines SUMITOMO CHEMICAL CO (JP) 1995-02-15 EP disclosed
US-5200561-A PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-06 US disclosed
EP-0485069-A1 Process for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
US-4943635-A OXAZABOROLIDINES AND OXAZABORINES AS CATALYSTS PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1990-07-24 US disclosed
EP-0305180-A2 Enantioselective reduction of ketones THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-03-01 EP disclosed
EP-0075868-A2 Optically active amino alcohols and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-04-06 EP disclosed