SCHEMBL5082785

SCHEMBL5082785

CC1=C[CH]c2cccc(C)c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
CD44 P16070 1/20 0.36
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MYC P01106 1/20 0.31
TRPA1 O75762 2/20 0.31
ATM Q13315 1/20 0.31
SRC P12931 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
SCHEMBL28743155 0.73 PDCD1 (0.39) CYP2A6CA2CA9ALDH1A1
SCHEMBL28907130 0.70 MYC (0.39) CYP2A6CYP1A2CD44TSHRACHE
SCHEMBL4021982 0.69 ACHE (0.57) CYP2A6CYP1A2CD44TSHRACHE
SCHEMBL2050326 0.69 CD44 (0.48) CYP2A6CYP1A2CD44TSHRACHE
SCHEMBL216842 0.65 LMNA (0.36) CYP1A2TSHRACHEALDH1A1CYP3A4
SCHEMBL6650647 0.64 ACHE (0.38) CYP2A6CYP1A2CD44TSHRACHE
SCHEMBL4161420 0.62 CA1 (0.48) CYP2A6CYP1A2CD44TSHRACHE
SCHEMBL5080290 0.62 CYP2A6 (0.36) CYP2A6CYP1A2CD44TSHRACHE
SCHEMBL218448 0.62 CYP2A6 (0.36) CYP2A6CYP1A2CD44TSHRACHE
SCHEMBL1044029 0.62 ACHE (0.44) CYP2A6CYP1A2CD44TSHRACHE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1473323-B1 Polyethylene composition and process for producing same TOSOH CORP (JP) 2016-04-27 EP disclosed
CN-101341176-B Ethylene polymer, catalyst for producing ethylene polymer, and method for producing ethylene polymer TOSOH CORP 2011-08-17 CN disclosed
CN-101341176-A Ethylene polymer, catalyst for producing ethylene polymer, and method for producing ethylene polymer TOSOH CORP (JP) 2009-01-07 CN disclosed
EP-1964860-A1 ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER Tosoh Corporation (JP) 2008-09-03 EP disclosed