SCHEMBL73083

SCHEMBL73083

CC(C)(C)OC(=O)O/N=C(\C#N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.50
MAPT P10636 2/20 0.44
ELANE P08246 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNF P01375 1/20 0.37
KLF5 Q13887 1/20 0.37
NOD1 Q9Y239 1/20 0.37
USP2 O75604 1/20 0.37
CTSS P25774 7/20 0.36
CTSK P43235 4/20 0.36
AAK1 Q2M2I8 1/20 0.36
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSL P07711 3/20 0.34

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
SCHEMBL409974 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL8627827 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL209658 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL209659 1.00 PLA2G7 (0.50) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL8547007 0.93 PLA2G7 (0.45) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL7045591 0.87 ELANE (0.41) PLA2G7MAPTELANEALDH1A1TSHR
SCHEMBL25377184 0.86 PLA2G7 (0.58) PLA2G7MAPTALDH1A1TSHRHSD17B10
SCHEMBL2635874 0.86 PLA2G7 (0.58) PLA2G7MAPTALDH1A1TSHRHSD17B10
SCHEMBL2635878 0.86 PLA2G7 (0.58) PLA2G7MAPTALDH1A1TSHRHSD17B10
SCHEMBL11330082 0.86 ELANE (0.41) PLA2G7MAPTELANETSHRTDP1

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

Appears in 2014 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118020766-A High-dispersion wettability auxiliary agent and application thereof 河北成悦化工有限公司 2024-05-14 CN claimed
CN-114805711-B Preparation method of polymer-based acid-base catalyst with isolated space sites 浙江理工大学 2024-01-30 CN claimed
CN-110498823-B Synthetic method of 6' -N-ethyl gentamicin C1a 无锡济煜山禾药业股份有限公司 2022-12-06 CN claimed
CN-111040007-B Synthetic method of 1, 3, 2' -N, N, N-triacetyl gentamicin C1a 无锡济煜山禾药业股份有限公司 2022-09-06 CN claimed
CN-114805711-A Preparation method of polymer-based acid-base catalyst with isolated spatial sites 浙江理工大学 2022-07-29 CN claimed
CN-111039999-A Synthesis method of etimicin impurity 无锡济民可信山禾药业股份有限公司 2020-04-21 CN claimed
CN-111040007-A Synthetic method of 1, 3, 2' -N, N, N-triacetyl gentamicin C1a 无锡济民可信山禾药业股份有限公司 2020-04-21 CN claimed
CN-110498823-A A kind of synthetic method of 6 \"-N- ethyl Gentamicin C1as WUXI JIMIN KEXIN SHANHE PHARM 2019-11-26 CN claimed
CN-102827067-B Beta-lactamase inhibitor SCHERING CORPORATION (US) 2015-09-23 CN claimed
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2013-10-17 US claimed
US-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS MERCK SHARP & DOHME CORP. 2012-03-01 US claimed
CN-101918407-A Beta-lactamase inhibitors MERCK & CO INC 2010-12-15 CN claimed
WO-2010126820-A2 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS MERCK SHARP & DOHME CORP. (US) 2010-11-04 WO claimed
US-7635573-B2 Mass spectroscopic method for comparing protein levels in two or more samples AGILENT TECHNOLOGIES, INC. (US) 2009-12-22 US claimed
US-7432391-B2 Process for the production of tert-butyl N-(2-bromoethyl)carbamate DAITO CHEMIX CORPORATION (JP) 2008-10-07 US claimed
US-20080139839-A1 Process For the Production of Tert-Butyl N-(2-Bromoethyl)Carbamate DAITO CHEMIX CORPORATION (JP) 2008-06-12 US claimed
CN-1858052-A Quinolone carboxylate compounds and their preparing method and use SHANGHAI INST OF MEDICINE CAS (CN) 2006-11-08 CN claimed
US-20060134723-A1 N-or C-terminal peptide selection method for proteomics FISCHER STEVEN M 2006-06-22 US claimed
WO-1999058152-A1 CATIONIC LIPIDS WITH DISULPHIDE BONDS FOR THE INTRACELLULAR DELIVERY OF THERAPEUTIC SUBSTANCES UNIVERSITY OF FLORIDA (US) 1999-11-18 WO claimed
WO-1991004968-A1 CHALCOGEN-BASED CHIRAL REAGENTS AND METHOD FOR NUCLEAR MAGNETIC RESONANCE DETECTION OF STEREOCHEMICAL ASSIGNMENTS AND ENANTIOMERIC RATIOS AND METHOD FOR SYNTHESIZING SAID REAGENTS UNIVERSITY OF SOUTH CAROLINA (US) 1991-04-18 WO claimed