SCHEMBL1003778

SCHEMBL1003778

C=CCc1ccccc1CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
ALDH1A1 P00352 2/20 0.39
MGLL Q99685 1/20 0.38
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
BDKRB2 P30411 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL173300 0.87 GABRA1 (0.56) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL29763626 0.87 GABRA1 (0.56) GABRA1GABRB2ALDH1A1ADRB2ADRB1
Alcohol SCHEMBL876107 0.86 GABRA1 (0.52) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL19437729 0.85 GABRA1 (0.54) GABRA1GABRB2ALDH1A1ADRB2ADRB1
Phosphine SCHEMBL28908229 0.85 GABRA1 (0.54) GABRA1GABRB2ALDH1A1ADRB2ADRB1
Benzene SCHEMBL28085432 0.85 GABRA1 (0.54) GABRA1GABRB2ALDH1A1HTR1AADRA2C
SCHEMBL11765775 0.85 GABRA1 (0.54) GABRA1GABRB2ALDH1A1ADRB2ADRB1
SCHEMBL10528834 0.85 GABRA1 (0.54) GABRA1GABRB2ALDH1A1ADRB2ADRB1
Propene SCHEMBL27662890 0.82 GABRA1 (0.46) GABRA1GABRB2ALDH1A1MGLLCYP2D6
Hydrogen Peroxide SCHEMBL10784213 0.82 GABRA1 (0.58) GABRA1GABRB2ALDH1A1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924010-A Method for producing alkylstyrene 中国石油化工股份有限公司 2024-04-26 CN claimed
CN-117920240-A Catalyst for producing alkylstyrene and preparation method and application thereof 中国石油化工股份有限公司 2024-04-26 CN claimed
CN-116444330-A Addition product of alkyl free radical and capture reagent, addition method and application thereof 深圳湾实验室坪山生物医药研发转化中心 2023-07-18 CN claimed
CN-115872900-A Method for generating and capturing alkyl free radical, product thereof and application of product 深圳湾实验室坪山生物医药研发转化中心 2023-03-31 CN claimed
CN-112079678-B Method for constructing carboxylic acid or alcohol by olefin remote functionalization 四川大学 2021-12-21 CN claimed
CN-112079678-A Method for constructing carboxylic acid or alcohol by olefin remote functionalization 四川大学 2020-12-15 CN claimed
CN-101306392-B Regeneration method of dehydrogenating catalyst of alkyl benzene CHINA PETROLEUM & CHEMICAL 2011-04-27 CN claimed
CN-117924010-A Method for producing alkylstyrene 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-117920240-A Catalyst for producing alkylstyrene and preparation method and application thereof 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-117920240-A Catalyst for producing alkylstyrene and preparation method and application thereof 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-117924010-A Method for producing alkylstyrene 中国石油化工股份有限公司 2024-04-26 CN disclosed
CN-116444330-A Addition product of alkyl free radical and capture reagent, addition method and application thereof 深圳湾实验室坪山生物医药研发转化中心 2023-07-18 CN disclosed
CN-116444330-A Addition product of alkyl free radical and capture reagent, addition method and application thereof 深圳湾实验室坪山生物医药研发转化中心 2023-07-18 CN disclosed
US-4843168-A HYDROGENATION CATALYST CONTAINING MAGNESIUM, ALUMINUM AMOCO CORPORATION (US) 1989-06-27 US disclosed
EP-0300498-A1 Method for producing p-alkylstyrene NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-01-25 EP disclosed
EP-0181482-B1 NOVEL ETHYLENE COPOLYMERS Nippon Petrochemicals Co., Ltd. (JP) 1989-01-11 EP disclosed
US-4774212-A MAGNESIUM ALUMINUM HYDROTALCITES WITH ORGANIC AND INORGANIC ANIONS AS CATALYSTS AMOCO CORPORATION (US) 1988-09-27 US disclosed
US-4736007-A WITH UNSATURATED AROMATIC HYDROCARBONS NIPPON PETROCHEMICALS CO., LTD. (JP) 1988-04-05 US disclosed
EP-0181482-A1 Novel ethylene copolymers Nippon Petrochemicals Co., Ltd. (JP) 1986-05-21 EP disclosed
US-4062862-A MUSCLE RELAXANT NIPPON CHEMIPHAR CO., LTD. (JA) 1977-12-13 US disclosed