SCHEMBL84509

SCHEMBL84509

CC(C)c1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
NFKB1 P19838 2/20 0.48
PNMT P11086 1/20 0.48
TSHR P16473 5/20 0.47
LMNA P02545 4/20 0.47
NISCH Q9Y2I1 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
HIF1A Q16665 4/20 0.46
BLM P54132 3/20 0.46
SLC6A2 P23975 2/20 0.46
HTR2B P41595 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46

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
Hydrogen Peroxide SCHEMBL9456443 0.95 GABRA1 (0.52) GABRA1GABRB2ADRB2ADRB1CYP3A4
Isothiocyanate SCHEMBL4329473 0.87 ADRB2 (0.41) GABRA1GABRB2ADRB2ADRB1CYP3A4
SCHEMBL12204154 0.83 ADRB2 (0.48) ADRB2ADRB1CYP3A4CYP1A2CYP2D6
SCHEMBL1588934 0.81 ADRB2 (0.47) ADRB2ADRB1CYP3A4CYP1A2CYP2D6
SCHEMBL13145152 0.81 ADRB2 (0.47) ADRB2ADRB1CYP3A4CYP1A2CYP2D6
SCHEMBL8819414 0.80 CYP2A6 (0.44) GABRA1GABRB2ADRB2ADRB1CYP3A4
SCHEMBL24725717 0.79 ADRB2 (0.46) ADRB2ADRB1CYP3A4CYP1A2CYP2D6
SCHEMBL342944 0.79 ADRB2 (0.55) GABRA1GABRB2ADRB2ADRB1CYP3A4
SCHEMBL13145151 0.79 P2RX7 (0.47) ADRB2ADRB1CYP3A4CYP1A2CYP2D6
SCHEMBL9908235 0.79 ADRB2 (0.46) ADRB2ADRB1CYP3A4CYP1A2CYP2D6

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 1885 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109761757-A A kind of synthetic method of chlorophenesic acid 山东润博生物科技有限公司 2019-05-17 CN claimed
CN-106146710-B Cationic polymerization method 中国石油化工股份有限公司 2018-12-28 CN claimed
EP-1928928-B1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES HUNTSMAN INT LLC (US) 2018-02-21 EP claimed
CN-107056621-A The method for preparing N (isopropyl benzyl of 5 chlorine 2) cyclopropylamine 拜耳作物科学股份公司 2017-08-18 CN claimed
CN-106146710-A Cationic polymerization method 中国石油化工股份有限公司 2016-11-23 CN claimed
CN-104245660-A Process for the preparation of N- (5-chloro-2-isopropylbenzyl) -cyclopropylamine BAYER CROPSCIENCE AG 2014-12-24 CN claimed
EP-1572752-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2014-08-13 EP claimed
EP-1578806-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2013-05-22 EP claimed
EP-1572753-B1 POLYMERIZATION PROCESSES EXXONMOBIL CHEM PATENTS INC (US) 2012-06-13 EP claimed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US claimed
EP-1572763-A2 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS ExxonMobil Chemical Patents Inc. (US) 2005-09-14 EP claimed
US-20050107536-A1 Polymers with new sequence distributions EXXONMOBIL CHEMICAL PATENTS INC. 2005-05-19 US claimed
US-20050101751-A1 Halogenated polymers with new sequence distributions EXXONMOBIL CHEMICAL PATENTS INC. 2005-05-12 US claimed
WO-2004067577-A2 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-08-12 WO claimed
WO-2004058829-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO claimed
WO-2004058836-A1 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058828-A1 POLYMERIZATION PROCESSES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
WO-2004058825-A2 POLYMERS WITH NEW SEQUENCE DISTRIBUTIONS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2004-07-15 WO claimed
WO-2004058835-A1 POLYMERS SUBSTANTIALLY FREE OF LONG CHAIN BRANCHING EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-07-15 WO claimed
US-4140695-A Process for producing copper phthalocyanines IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1979-02-20 US claimed