SCHEMBL3965381

SCHEMBL3965381

CCc1cc(C)c(C)c(CC)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
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
CASP7 P55210 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
SCHEMBL4085470 0.85 NOS3 (0.34) NOS3NOS2NOS1ALDH1A1MAPT
SCHEMBL17373679 0.85 NOS3 (0.34) NOS3NOS2NOS1ALDH1A1MAPT
SCHEMBL8097110 0.82 NOS3 (0.40) NOS3NOS2NOS1ALDH1A1NPSR1
SCHEMBL9344581 0.82 ALDH1A1 (0.32) NOS3NOS2NOS1ALDH1A1DHFR
SCHEMBL19927817 0.81 KDM4E (0.40) NOS3NOS2NOS1NPSR1PGK1
SCHEMBL30523845 0.81 KDM4E (0.40) NOS3NOS2NOS1NPSR1PGK1
SCHEMBL28347480 0.80 PGK1 (0.40) NOS3NOS2NOS1ALDH1A1MAPT
SCHEMBL11417897 0.79 ALDH1A1 (0.44) NOS3NOS2NOS1ALDH1A1MAPT
SCHEMBL22931470 0.79 NOS3 (0.31) NOS3NOS2NOS1ALDH1A1MAPT
SCHEMBL11374676 0.79 GABRA1 (0.38) NOS3NOS2NOS1ALDH1A1HTT

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 10 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
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
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-5235115-A Selective ethylation of 2-alkoxy-naphthalene compounds AMOCO CORPORATION (US) 1993-08-10 US 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