SCHEMBL4843352

SCHEMBL4843352

CCCc1ccccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
GABRA1 P14867 3/20 0.43
GABRB2 P47870 2/20 0.43
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
TSHR P16473 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL28119731 0.89 ADRA2A (0.40) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL9839884 0.88 GABRA1 (0.48) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL28002665 0.87 ADRA2A (0.43) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL30436245 0.87 CYSLTR2 (0.46) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL5665256 0.87 CYSLTR2 (0.46) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL9621039 0.86 ADRA2A (0.46) ADRA2AADRA2BADRA2CTSHRSLC6A2
Tert-Butyl Hydroperoxide SCHEMBL27782340 0.86 ADRA2A (0.42) ADRA2AADRA2BADRA2CGABRA1GABRB2
SCHEMBL8091006 0.85 CYSLTR2 (0.53) CYSLTR2CYSLTR1
SCHEMBL17439641 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1
SCHEMBL7059581 0.84 CYSLTR2 (0.55) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101198660-A (Meth)acrylate composition featuring reduced oxygen inhibition SIKA TECHNOLOGY AG (CH) 2008-06-11 CN claimed
WO-2020006159-A1 CATIONICALLY CURABLE COMPOSITIONS WITH LATENT REDUCING AGENT DEMONSTRATING LOW CURE TEMPERATURE Henkel IP & Holding GmbH (DE) 2020-01-02 WO disclosed
CN-103947031-B Organic electrolyte and organic electrolyte secondary battery 吉坤日矿日石能源株式会社 2017-07-11 CN disclosed
CN-105992808-A Use of magnetic nanoparticles for depleting aromatic compounds in oil 马士基橄榄和气体公司 2016-10-05 CN disclosed
CN-103946306-B dual cure system AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2016-05-04 CN disclosed
CN-104812821-A Cross-linkable polymeric compositions, methods for making the same, and articles made therefrom DOW GLOBAL TECHNOLOGIES INC 2015-07-29 CN disclosed
CN-104025364-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-09-03 CN disclosed
CN-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 CN disclosed
CN-103946306-A Dual cure system AKZO NOBEL CHEMICALS INT BV 2014-07-23 CN disclosed
CN-103947031-A Organic electrolyte and organic electrolyte secondary battery JX NIPPON OIL & ENERGY CORP 2014-07-23 CN disclosed
EP-1401795-A2 SELECTIVE PRODUCTION OF META-DIISOPROPYLBENZENE Exxonmobil Chemical Patents Inc. (US) 2004-03-31 EP disclosed
EP-1392628-A1 PRODUCTION OF DIISOPROPYLBENZENE ExxonMobil Chemical Patents Inc. (US) 2004-03-03 EP disclosed
US-20030125591-A1 Selective production of meta-diisopropylbenzene WEBER WILLIAM A (US) 2003-07-03 US disclosed
US-6518471-B1 Converting by-product ortho-diisopropylbenzene isomer with a molecular sieve catalyst selected from the group consisting of zeolite beta, mordenite and a porous crystalline inorganic oxide material EXXONMOBIL CHEMICAL PATENTS INC. 2003-02-11 US disclosed
US-20030028061-A1 Production of diisopropylbenzene EXXONMOBIL OIL CORPORATION 2003-02-06 US disclosed
US-20030018227-A1 SELECTIVE PRODUCTION OF META-DIISOPROPYLBENZENE EXXOMOBIL CHEMICAL PATENTS INC. 2003-01-23 US disclosed
WO-2003000629-A2 SELECTIVE PRODUCTION OF META-DIISOPROPYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-03 WO disclosed
WO-2002088052-A1 PRODUCTION OF DIISOPROPYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-11-07 WO disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
US-4538003-A TREATMENT WITH MAGNESIUM OR ZINC ORGANOMETALLIC REAGENTS IN PRESENE OF A NICKEL BIDENTATE OR TRIDENTATE PHOSPHOROUS LIGAND E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-27 US disclosed