SCHEMBL4077009

SCHEMBL4077009

CCC(C)C(CC)(CC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
CYP2D6 P10635 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNN4 O15554 2/20 0.39
GRIN1 Q05586 6/20 0.39
GRIN2A Q12879 6/20 0.39
GRIN2D O15399 5/20 0.39
GRIN2C Q14957 5/20 0.39
GRIN2B Q13224 4/20 0.39
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
RIPK1 Q13546 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP1A2 P05177 1/20 0.34
OPRM1 P35372 2/20 0.34
CACNA1F O60840 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL9579235 0.82 RIPK1 (0.42) KIF11CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL1081352 0.80 KIF11 (0.38) KIF11CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL6552914 0.80 KCNN4 (0.40) KIF11KCNN4GRIN1GRIN2AGRIN2D
SCHEMBL18972433 0.78 LTA4H (0.44) KIF11LMNAKCNH2
SCHEMBL9077583 0.77 CYP2D6 (0.47) KIF11CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL3075942 0.77 KIF11 (0.44) KIF11CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL29077157 0.76 KIF11 (0.35) KIF11CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL3087077 0.76 KIF11 (0.42) KIF11CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL6682969 0.76 KIF11 (0.42) KIF11CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL995710 0.76 KIF11 (0.42) KIF11CYP2D6ALDH1A1CYP2C19HSD17B10

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 8 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
JP-3284645-A None JP 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
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
JP-H03284645-A PRODUCTION OF PYROMELLITIC ACID DIANHYDRIDE NIPPON STEEL CHEM CO LTD 1991-12-16 JP disclosed