SCHEMBL4076418

SCHEMBL4076418

CCc1ccc(C)c(CC)c1CC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.40
NOS2 P35228 2/20 0.40
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
CTRC Q99895 1/20 0.32
NOS1 P29475 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL10747483 0.97 NOS3 (0.39) NOS3NOS2KDM4EPOLBGABRA1
SCHEMBL27649422 0.97 NOS3 (0.39) NOS3NOS2KDM4EPOLBGABRA1
SCHEMBL19412656 0.86 NOS2 (0.48) NOS3NOS2KDM4EPOLBHTT
SCHEMBL166573 0.86 GABRA1 (0.41) NOS3NOS2POLBGABRA1GABRB2
SCHEMBL29619533 0.86 GABRA1 (0.41) NOS3NOS2POLBGABRA1GABRB2
SCHEMBL28354725 0.84 CTRC (0.38) NOS3NOS2KDM4EPOLBCTRC
Ammonia Solution, Strong SCHEMBL27539208 0.83 GABRA1 (0.39) NOS3NOS2POLBGABRA1GABRB2
SCHEMBL14993279 0.83 ALDH1A1 (0.33) NOS3NOS2KDM4EPOLBGABRA1
SCHEMBL29373928 0.82 TDP2 (0.34) NOS3NOS2KDM4EPOLBGABRA1
SCHEMBL1086573 0.82 TDP2 (0.34) NOS3NOS2KDM4EPOLBGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563358-B2 Process for the production of benzene, toluene, and xylenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-07-21 US claimed
US-20080051615-A1 Process for the production of benzene, toluene, and xylenes EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-28 US claimed
JP-5140002-A None JP disclosed
JP-5140003-A None JP disclosed
JP-6166642-A None JP disclosed
JP-6166641-A None JP disclosed
CN-111417668-B Benzopyrrolo copolycarbonate optical articles, articles formed therefrom, and methods of making the same 高新特殊工程塑料全球技术有限公司 2022-06-28 CN disclosed
US-10710942-B2 Method of co-processing fluidized catalytic cracking naphtha and pyrolysis gasoline SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-07-14 US disclosed
WO-2017205083-A1 A METHOD OF CO-PROCESSING FLUIDIZED CATALYTIC CRACKING NAPHTHA AND PYROLYSIS GASOLINE SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-11-30 WO disclosed
CN-105085576-A Pyridinamine-based chromium complex and preparation method and application thereof UNIV EAST CHINA SCIENCE & TECH 2015-11-25 CN disclosed
US-7563358-B2 Process for the production of benzene, toluene, and xylenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-07-21 US disclosed
EP-0414207-B1 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO LTD (JP) 1994-08-03 EP disclosed
JP-H06166641-A PRODUCTION OF ALKYL-SUBSTITUTED AROMATIC HYDROCARBON NIPPON PETROCHEM CO LTD 1994-06-14 JP disclosed
JP-H06166642-A PRODUCTION OF ALKYL-SUBSTITUTED AROMATIC HYDROCARBON NIPPON PETROCHEM CO LTD 1994-06-14 JP disclosed
JP-H05140002-A PRODUCTION OF ALKYL-SUBSTITUTED AROMATIC HYDROCARBON NIPPON PETROCHEM CO LTD 1993-06-08 JP disclosed
JP-H05140003-A PRODUCTN OF ALKYL SUBSTITUTED AROMATIC HYDROCARBON NIPPON PETROCHEM CO LTD 1993-06-08 JP disclosed
US-5166419-A Multistage reaction by catalytic dehydrogenation and reaction with carbon monoxide NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-11-24 US disclosed
EP-0414207-A2 Method for preparing alpha-(-4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1991-02-27 EP disclosed
US-4297508-A BY REACTING CARBON DIOXIDE WITH B-NAPHTHOL, AN ALKALI METAL SALT OF B-NAPHTHOL, AND AN ALKYLBENZENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-10-27 US disclosed
US-4117020-A REACTION WITH BENZENE OR TOLUENE, ALUMINOSILICATE MOLECULAR SIEVE CATALYST THE DOW CHEMICAL COMPANY (US) 1978-09-26 US disclosed