Isopropylbenzene

Isopropylbenzene

SCHEMBL7041365

CC(C)c1ccccc1.CC(C)c1ccccc1C(C)C

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
GABRB2 P47870 2/20 0.50
LMNA P02545 4/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 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
CA2 P00918 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 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
Isopropylbenzene SCHEMBL10669682 0.97 GABRA1 (0.54) GABRA1GABRB2LMNAGABRG2GABRB3
Isopropylbenzene SCHEMBL10455239 0.97 GABRA1 (0.54) GABRA1GABRB2LMNAGABRG2GABRB3
Hydrogen Peroxide SCHEMBL11221504 0.92 GABRA1 (0.54) GABRA1GABRB2LMNAGABRG2GABRB3
SCHEMBL10593204 0.92 GABRA1 (0.52) GABRA1GABRB2LMNAGABRG2GABRB3
Isopropylbenzene SCHEMBL2410196 0.89 GABRA1 (0.43) GABRA1GABRB2LMNAGABRG2GABRB3
Isopropylbenzene SCHEMBL6568 0.88
Isopropylbenzene SCHEMBL11254813 0.88
Isopropylbenzene SCHEMBL8431863 0.88 TAAR1 (0.50) LMNAHIF1ATSHRTAAR1ADRA2A
Isopropylbenzene SCHEMBL87809 0.88 TAAR1 (0.50) LMNAHIF1ATSHRTAAR1ADRA2A
Isopropylbenzene SCHEMBL3672803 0.88 TAAR1 (0.50) LMNAHIF1ATSHRTAAR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105611997-B Catalyst composition and the alkylated method for using it for aromatic hydrocarbon and alcohol or the mixture of alcohol and alkene 维尔萨利斯股份公司 2018-07-20 CN disclosed
CN-101589009-B Process for producing alkylated aromatic compound MITSUI CHEMICALS INC 2013-03-27 CN disclosed
CN-1997613-B Catalyst and process for the preparation of alkylated aromatic hydrocarbons POLIMERI EUROPA SPA 2012-08-22 CN disclosed
CN-101589009-A Process for producing alkylated aromatic compound MITSUI CHEMICALS INC (JP) 2009-11-25 CN disclosed
CN-1997613-A Catalyst and process for the preparation of alkylated aromatic hydrocarbons POLIMERI EUROPA SPA (IT) 2007-07-11 CN disclosed
CN-1720207-A Aromatics conversion using ITQ-13 EXXONMOBIL CHEM PATENTS INC (US) 2006-01-11 CN disclosed
US-6835780-B2 Vulcanizable hydrogenated acrylonitrile-butadiene copolymer and an organic sulfonic acid salt present in 0.5-20 parts by weight; small change in tensile strength and elongation under heat load; auto gaskets, belts, seals, packing etc. ZEON CORPORATION (JP) 2004-12-28 US disclosed
US-20030236355-A1 Nitrile rubber composition and vulcanized rubber article ZEON CORPORATION (JP) 2003-12-25 US disclosed
EP-1270663-A1 NITRILE RUBBER COMPOSITION AND VULCANIZED RUBBER ARTICLE Zeon Corporation (JP) 2003-01-02 EP disclosed
US-4317949-A REACTION OF AROMATIC COMPOUND AND OLEFIN USING A SOLID ACID CATALYST; DEALKYLATION; ISOMERIZATION VAREN TECHNOLOGY (US) 1982-03-02 US disclosed
US-4188308-A Conversion of pendant sulfonate groups to sulfonic acid groups on perfluorvinylether-tetrafluoroethylene copolymer catalysts VAREN TECHNOLOGY (US) 1980-02-12 US disclosed