SCHEMBL4132999

SCHEMBL4132999

C=CCc1ccccc1C(C)(C)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ALDH1A1 P00352 2/20 0.35
ELANE P08246 1/20 0.34
ADRB2 P07550 3/20 0.33
ADRB1 P08588 3/20 0.33
LMNA P02545 2/20 0.33
HTR1A P08908 1/20 0.33
ADRB3 P13945 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
BDKRB2 P30411 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
Ammonia Solution, Strong SCHEMBL7776228 0.98 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
Allylamine SCHEMBL28383223 0.93 GABRA1 (0.36) GABRA1GABRB2ALDH1A1ELANEADRB2
SCHEMBL6841870 0.84 GABRA1 (0.42) GABRA1GABRB2ALDH1A1ELANEADRB2
SCHEMBL8522980 0.84 GABRA1 (0.42) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL2003722 0.82 GABRA1 (0.41) GABRA1GABRB2ALDH1A1ELANEADRB2
SCHEMBL278267 0.81 GABRA1 (0.40) GABRA1GABRB2ALDH1A1ELANEADRB2
Iodide SCHEMBL8165516 0.79 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
Hydrochloric Acid SCHEMBL170004 0.79 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2
SCHEMBL9358246 0.79 MAPK1 (0.42) GABRA1GABRB2ALDH1A1ELANEADRB2
Water SCHEMBL2392756 0.79 GABRA1 (0.39) GABRA1GABRB2ALDH1A1ELANEADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109420737-B Water-based release agent and preparation method thereof 沈阳汇亚通铸造材料有限责任公司 2020-11-10 CN claimed
CN-109553539-A A kind of preparation method of benzalkonium chloride 湖北葛店人福药用辅料有限责任公司 2019-04-02 CN claimed
CN-103416398-A Light-cured antibacterial agent and curing method and application thereof LIANZHUANG TECHNOLOGY CO LTD 2013-12-04 CN claimed
US-5433953-A Microcapsules and methods for making same MINNESOTA MINING AND MANUFACTURING (US) 1995-07-18 US claimed
CN-113336976-B Polymer particles and use thereof 积水化成品工业株式会社 2023-10-31 CN disclosed
CN-109553536-B Synthetic method of fatty alkyl dimethyl benzyl quaternary ammonium salt 湖北葛店人福药用辅料有限责任公司 2022-05-03 CN disclosed
CN-112920491-A Preparation method of EPE environment-friendly packaging material 杨辉 2021-06-08 CN disclosed
CN-109420737-B Water-based release agent and preparation method thereof 沈阳汇亚通铸造材料有限责任公司 2020-11-10 CN disclosed
CN-109420737-B Water-based release agent and preparation method thereof 沈阳汇亚通铸造材料有限责任公司 2020-11-10 CN disclosed
CN-110938365-A Waterborne polyurethane antibacterial coating and preparation method thereof 天津大学 2020-03-31 CN disclosed
CN-106395962-B A kind of oily waste water treatment flotation agent and preparation method thereof 中国海洋石油集团有限公司 2019-06-14 CN disclosed
CN-109258668-A A kind of high efficiency composition carbendazim Biocidal algae-killing agent and preparation method thereof 福州盛世凌云环保科技有限公司 2019-01-25 CN disclosed
US-20070142260-A1 COMBINATION AIR SANITIZER, SOFT SURFACE DEODORIZER/SANITIZER AND HARD SURFACE DISINFECTANT S.C. JOHNSON & SON, INC. (US) 2007-06-21 US disclosed
US-6589509-B2 Transparent pressure-resistant aerosol container and a device for making foam from a specified composition having two liquid phases- a hydrophilic phase and hydrophobic phase with a distinct phase boundary WELLA AG (DE) 2003-07-08 US disclosed
US-20020031478-A1 Clear, two-phase, foam-forming aerosol hair care procuct Wella GmbH (DE) 2002-03-14 US disclosed
EP-0068399-B2 LIQUID CONCENTRATES OF DISINFECTANTS HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-09 EP disclosed
EP-0068399-B1 LIQUID CONCENTRATES OF DISINFECTANTS HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-07 EP disclosed
EP-0068399-A1 Liquid concentrates of disinfectants HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed
US-4311517-A ERWINIA, PSEUDOMONAS, QUATERNARY AMMONIUM SURFACTANT SHELL OIL COMPANY (US) 1982-01-19 US disclosed
EP-0037593-A1 Method for protection of plants from frost damage, and for reducing effects of ice-promoting bacteria SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-10-14 EP disclosed