O-Xylene

O-Xylene

SCHEMBL891401

CCC(OC)OC(C)=O.Cc1ccccc1C

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.36
SLC18A3 Q16572 1/20 0.36
PTPN1 P18031 1/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ACHE P22303 1/20 0.34
HPGD P15428 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
SCHEMBL16024 0.83
O-Xylene SCHEMBL30833524 0.79 MAPT (0.45) SMN1; SMN2KCNH2ALDH1A1CYP3A4SLC18A3
Isopropyl Alcohol SCHEMBL3228263 0.77 TSHR (0.42) SMN1; SMN2ALDH1A1LMNATSHRTDP1
O-Xylene SCHEMBL28273808 0.77 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1CYP3A4LMNATSHR
SCHEMBL5183383 0.76 TDP1 (0.42) SMN1; SMN2ALDH1A1LMNATSHRTDP1
SCHEMBL12855265 0.75 MTNR1A (0.41) KCNH2ALDH1A1CYP3A4LMNASLC18A3
SCHEMBL13335240 0.74 TSHR (0.52) SMN1; SMN2ALDH1A1LMNATSHRTDP1
O-Xylene SCHEMBL8155397 0.72 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAPTPN1TSHR
O-Xylene SCHEMBL7156318 0.72 KDM4E (0.46) SMN1; SMN2ALDH1A1CYP3A4PTPN1TSHR
SCHEMBL315270 0.72 TSHR (0.48) SMN1; SMN2ALDH1A1LMNATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602344-A Negative working lithographic printing plate precursor and method 伊斯曼柯达公司 2018-09-28 CN disclosed
CN-105683313-A The use of 2-(2-hydroxyphenyl)benzotriazole compounds as an UV absorbing agent in coatings 巴斯夫欧洲公司 2016-06-15 CN disclosed
EP-2445949-B1 HARDENER COMPOSITION FOR EPOXY RESINS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-03-25 EP disclosed
CN-104159976-A Color-developing composition, color-developing cured composition, lithographic printing plate precursor, plate-making method, and color-developing compound FUJIFILM CORP 2014-11-19 CN disclosed
CN-104024296-A Color-stable curing compositions of polyisocyanates containing (cyclo) aliphatic diisocyanates BASF SE 2014-09-03 CN disclosed
CN-102421860-B Solid pigment preparations containing phosphoric or phosphonic esters as surface-active additives BASF SE 2014-05-14 CN disclosed
CN-102257026-B Method for producing colourless polyisocyanates BASF SE 2014-04-30 CN disclosed
CN-101641387-B curing composition BASF SE 2014-01-15 CN disclosed
CN-102076731-B Antimicrobial composition containing antimicrobials covalently linked with polyurethane-silica interpenetrating network BASF SE 2013-11-27 CN disclosed
EP-2445949-A1 HARDENER COMPOSITION FOR EPOXY RESINS Dow Global Technologies LLC (US) 2012-05-02 EP disclosed
EP-1567589-B1 HARDENER COMPOSITION FOR EPOXY RESINS DOW GLOBAL TECHNOLOGIES INC (US) 2006-04-26 EP disclosed
EP-1567589-A1 HARDENER COMPOSITION FOR EPOXY RESINS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-08-31 EP disclosed
US-20050143524-A1 Hardener composition for epoxy resins VALETTE LUDOVIC (FR) 2005-06-30 US disclosed
EP-0954553-B1 LATENT CATALYSTS FOR EPOXY CURING SYSTEMS DOW GLOBAL TECHNOLOGIES INC (US) 2004-08-11 EP disclosed
WO-2004048470-A1 HARDENER COMPOSITION FOR EPOXY RESINS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-06-10 WO disclosed
US-20040101689-A1 Hardener composition for epoxy resins DOW GLOBAL TECHNOLOGIES INC. 2004-05-27 US disclosed
US-20040086720-A1 Latent catalysts for epoxy curing systems GAN JOSEPH (DE) 2004-05-06 US disclosed
US-6613839-B1 Polyepoxide, catalyst/cure inhibitor complex and anhydride THE DOW CHEMICAL COMPANY 2003-09-02 US disclosed
EP-0954553-A1 LATENT CATALYSTS FOR EPOXY CURING SYSTEMS THE DOW CHEMICAL COMPANY (US) 1999-11-10 EP disclosed
WO-1998031750-A1 LATENT CATALYSTS FOR EPOXY CURING SYSTEMS THE DOW CHEMICAL COMPANY (US) 1998-07-23 WO disclosed