SCHEMBL4085470

SCHEMBL4085470

CCc1cc(C)c(C)c(C)c1CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.34
NOS2 P35228 2/20 0.34
NOS1 P29475 1/20 0.34
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
IMPDH2 P12268 1/20 0.31
DHFR P00374 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 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
SCHEMBL3965381 0.85 NOS3 (0.34) NOS3NOS2NOS1ALDH1A1MAPT
SCHEMBL28347480 0.85 PGK1 (0.40) NOS3NOS2NOS1ALDH1A1MAPT
SCHEMBL28101513 0.84 KDM4E (0.33) ALDH1A1MAPT
SCHEMBL28350464 0.80 PGK1 (0.35) NOS3NOS2NOS1ALDH1A1MAPT
SCHEMBL17373679 0.80 NOS3 (0.34) NOS3NOS2NOS1ALDH1A1MAPT
SCHEMBL25328340 0.79 ESR1 (0.39) MAPTNPSR1PGK1PGK2ALOX15
SCHEMBL11374676 0.79 GABRA1 (0.38) NOS3NOS2NOS1ALDH1A1HTT
SCHEMBL30523837 0.79 ESR1 (0.39) MAPTNPSR1PGK1PGK2ALOX15
SCHEMBL22931470 0.79 NOS3 (0.31) NOS3NOS2NOS1ALDH1A1MAPT
SCHEMBL1087300 0.79 NOS3 (0.37) NOS3NOS2NOS1ALDH1A1MAPT

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 12 patents. 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
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-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
US-7563358-B2 Process for the production of benzene, toluene, and xylenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-07-21 US disclosed
US-20080051615-A1 Process for the production of benzene, toluene, and xylenes EXXONMOBIL CHEMICAL PATENTS INC. 2008-02-28 US disclosed
CN-1914298-A Method of desulfurizing hydrocarbon oil JAPAN ENERGY CORP (JP) 2007-02-14 CN 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
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-4085155-A FROM ACETONE AND 1-ALKANOLS, CATALYTIC CONTINENTAL OIL COMPANY (US) 1978-04-18 US disclosed