SCHEMBL3802153

SCHEMBL3802153

C=Cc1ccncc1.CC=C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
AKR1C3 P42330 1/20 0.40
NAPRT Q6XQN6 1/20 0.36
PTGS2 P35354 1/20 0.36
SNCA P37840 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
TBXAS1 P24557 5/20 0.35
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL8519714 1.00 JUN (0.40) JUNNFKB1AKR1C3NAPRTPTGS2
Iodide SCHEMBL16012390 0.98 JUN (0.39) JUNNFKB1AKR1C3NAPRTPTGS2
Acetic Acid SCHEMBL8516899 0.87 JUN (0.47) JUNNFKB1NAPRTPTGS2SNCA
SCHEMBL4865259 0.87 ALDH1A1 (0.48) AKR1C3PTGS2ALDH1A1TSHRTBXAS1
Methacrylic Acid SCHEMBL16669353 0.85 JUN (0.42) JUNNFKB1AKR1C3NAPRTPTGS2
Methacrylic Acid SCHEMBL17187723 0.84 JUN (0.41) JUNNFKB1AKR1C3NAPRTPTGS2
Styrene SCHEMBL238869 0.83 AKR1C3 (0.59) AKR1C3PTGS2ALDH1A1TSHRHDAC1
Styrene SCHEMBL134355 0.83 AKR1C3 (0.59) AKR1C3PTGS2ALDH1A1TSHRHDAC1
SCHEMBL15637663 0.81 TBXAS1 (0.35) JUNNFKB1AKR1C3NAPRTPTGS2
SCHEMBL4407600 0.81 TBXAS1 (0.35) JUNNFKB1AKR1C3NAPRTPTGS2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906330-A1 COATED ION EXCHANGE MEMBRANES Evoqua Water Technologies LLC (US) 2015-08-19 EP disclosed
EP-2903737-A1 HIGH-PERFORMANCE ANION EXCHANGE MEMBRANES AND METHODS OF MAKING SAME Evoqua Water Technologies LLC (US) 2015-08-12 EP disclosed
US-8975327-B2 Controlling morphology of block copolymers DOW CORNING CORPORATION (US) 2015-03-10 US disclosed
US-20150064115-A1 NEUROPHILIC NANOPARTICLES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2015-03-05 US disclosed
WO-2014055123-A1 HIGH-PERFORMANCE ANION EXCHANGE MEMBRANES AND METHODS OF MAKING SAME EVOQUA WATER TECHNOLOGIES LLC (US) 2014-04-10 WO disclosed
EP-2643413-A1 CONTROLLING MORPHOLOGY OF BLOCK COPOLYMERS Dow Corning Corporation (US) 2013-10-02 EP disclosed
US-20130231438-A1 Controlling Morphology of Block Copolymers DOW CORNING CORPORATION (US) 2013-09-05 US disclosed
WO-2012071330-A1 CONTROLLING MORPHOLOGY OF BLOCK COPOLYMERS DOW CORNING CORPORATION (US) 2012-05-31 WO disclosed
US-7846412-B2 Nanoparticle fluorescent probes comprised of quantum dot and hydrophobic protection structure including capping ligand and amphiphilic copolymer; biocompatibility; multiplexed imaging and detection of genes and proteins in single living cells; cancer diagnosis EMORY UNIVERSITY (US) 2010-12-07 US disclosed
WO-2008137733-A2 MICELLAR STRUCTURES, METHODS OF MAKING MICELLAR STRUCTURES, METHODS OF IMAGING, AND METHODS OF DELIVERING AGENTS EMORY UNIVERSITY (US) 2008-11-13 WO disclosed
WO-2008116044-A1 SEMICONDUCTOR QUANTUM DOTS FOR EFEICIENT DELIVERY AND INTRACELLULAR IMAGING OF SIRNA EMORY UNIVERSITY (US) 2008-09-25 WO disclosed
EP-1696784-A2 BIOCONJUGATED NANOSTRUCTURES, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF Emory University (US) 2006-09-06 EP disclosed
EP-1493015-A4 ANALYTE SENSOR POWERZYME INC (US) 2006-01-04 EP disclosed
WO-2005065081-A2 BIOCONJUGATED NANOSTRUCTURES, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF EMORY UNIVERSITY (US) 2005-07-21 WO disclosed
US-20050136258-A1 Nanoparticle fluorescent probes comprised of quantum dot and hydrophobic protection structure including capping ligand and amphiphilic copolymer; biocompatibility; multiplexed imaging and detection of genes and proteins in single living cells; cancer diagnosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-23 US disclosed
EP-1493015-A1 ANALYTE SENSOR Powerzyme, Inc. (US) 2005-01-05 EP disclosed
US-20030228681-A1 Analyte sensor POWERZYME, INC. 2003-12-11 US disclosed
WO-2003087783-A1 ANALYTE SENSOR POWERZYME, INC. (US) 2003-10-23 WO disclosed
US-5989458-A HIGH IONIC CONDUCTIVE MIXTURE OF HIGH MOLECULAR WEIGHT COMPOUND, I.E., FLEXIBLE SOLID ELECTROLYTE, AND ALKALI SILICON ALUMINATE YAZAKI CORPORATION (JP) 1999-11-23 US disclosed