SCHEMBL42876

SCHEMBL42876

Nc1ccc2c(c1)C(=O)N(O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
CASP1 P29466 6/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
HSD17B10 Q99714 5/20 0.55
CASP7 P55210 4/20 0.55
TSHR P16473 3/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ANPEP P15144 2/20 0.51
DPP4 P27487 1/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 3/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTPRC P08575 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
SCHEMBL28098235 0.85 ANPEP (0.48) ALDH1A1CASP1NPC1RAB9AHSD17B10
SCHEMBL6269280 0.83 ANPEP (0.47) ALDH1A1CASP1NPC1RAB9AHSD17B10
SCHEMBL24167716 0.80 ALDH1A1 (0.56) ALDH1A1CASP1NPC1RAB9AHSD17B10
SCHEMBL2901880 0.78 ALDH1A1 (0.55) ALDH1A1CASP1NPC1RAB9AHSD17B10
SCHEMBL917833 0.78 ALDH1A1 (0.59) ALDH1A1CASP1NPC1RAB9AHSD17B10
SCHEMBL29833030 0.78 ALDH1A1 (0.59) ALDH1A1CASP1NPC1RAB9AHSD17B10
SCHEMBL25060901 0.77 KDM4E (0.57) ALDH1A1NPC1RAB9ATSHRMEN1
SCHEMBL8995319 0.77 CASP1 (0.86) ALDH1A1CASP1NPC1RAB9AHSD17B10
SCHEMBL7900508 0.76 ESR1 (0.62) MEN1KMT2AANPEPDPP4CRBN
SCHEMBL9566650 0.75 CASP1 (0.83) ALDH1A1CASP1NPC1RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964537-A Process for preparing cyclohexylbenzene hydroperoxide 中国石油化工股份有限公司 2024-05-03 CN claimed
CN-117964536-A Method for preparing cyclohexylbenzene hydroperoxide by oxidizing cyclohexylbenzene 中国石油化工股份有限公司 2024-05-03 CN claimed
CN-114805043-A Preparation method and system of cyclopentanone 中国石油化工股份有限公司 2022-07-29 CN claimed
CN-114805042-A Method and system for preparing cyclopentanone and application thereof 中国石油化工股份有限公司 2022-07-29 CN claimed
CN-111635287-A Synthesis method of substituted phenol 安徽中羰碳一工业技术有限责任公司 2020-09-08 CN claimed
CN-111606784-A Synthetic method of 4, 4' -dihydroxybiphenyl 安徽中羰碳一工业技术有限责任公司 2020-09-01 CN claimed
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US claimed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US claimed
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP claimed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO claimed
WO-2004083516-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE LANXESS B.V. (NL) 2004-09-30 WO claimed
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US claimed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US claimed
EP-0913382-B1 Process for the preparation of aldehydes and ketones CONSORTIUM ELEKTROCHEM IND (DE) 2000-11-08 EP claimed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US claimed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US claimed
EP-0913382-A1 Process for the preparation of aldehydes and ketones Consortium für elektrochemische Industrie GmbH (DE) 1999-05-06 EP claimed
EP-0885868-A1 Oxidation-process for the production of aldehydes and ketones in the presence of nitrogen-containing compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-23 EP claimed
EP-0118543-A1 SUBSTITUTED N-BENZENESULFONYLOXYPHTHALIMIDES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1984-09-19 EP claimed
WO-1984000888-A1 SUBSTITUTED N-BENZENESULFONYLOXYPHTHALIMIDES UNIV SOUTHERN CALIFORNIA (US) 1984-03-15 WO claimed