SCHEMBL5080290

SCHEMBL5080290

CC1=C[CH]c2c(C)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
ACHE P22303 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 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
DAO P14920 1/20 0.32
MYC P01106 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL2052191 0.69 CYP2A6 (0.43) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL598761 0.67 TSHR (0.53) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL216842 0.65 LMNA (0.36) CYP1A2ACHETSHRALDH1A1MEN1
SCHEMBL1025199 0.63 CYP2A6 (0.38) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL30834716 0.62 TRPA1 (0.52) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL4161420 0.62 CA1 (0.48) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL218508 0.62 TRPA1 (0.52) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL5082785 0.62 CYP2A6 (0.36) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL197690 0.60 ACHE (0.64) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL30169568 0.60 ACHE (0.64) CYP2A6CYP1A2ACHETSHRALDH1A1

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