SCHEMBL28132004

SCHEMBL28132004

COC1CC=Cc2cc3ccccc3cc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.36
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.34
PAX8 Q06710 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NQO1 P15559 1/20 0.32
SLC6A3 Q01959 4/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 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
SCHEMBL29479374 0.79 RET (0.35) MEN1KMT2ASLC6A3SLC6A2CYP2D6
SCHEMBL10609155 0.79 RET (0.35) MEN1KMT2ASLC6A3SLC6A2CYP2D6
SCHEMBL5025415 0.77 CYP2A6 (0.33) CYP2A6CYP1A2HSP90AA1PAX8SLC6A3
SCHEMBL10878544 0.75 TDP1 (0.31) CYP2A6SLC6A3SLC6A2SLC6A4TDP1
SCHEMBL28244256 0.74 SLC6A2 (0.33) CYP2A6CYP1A2HSP90AA1PAX8MEN1
SCHEMBL1313656 0.74 CYP1A2 (0.33) CYP1A2HSP90AA1PAX8MEN1KMT2A
SCHEMBL25549138 0.74 ALDH1A1 (0.33) SLC6A3SLC6A2SLC6A4CYP2D6KCNH2
SCHEMBL12071676 0.73
SCHEMBL12071045 0.72
SCHEMBL30758145 0.70 CYP1A2 (0.41) CYP2A6CYP1A2MEN1KMT2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106543310-B A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2019-06-28 CN claimed
CN-106543310-A A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2017-03-29 CN claimed
CN-106543310-B A kind of olefin polymerization catalyst system and its application 中国石油化工股份有限公司 2019-06-28 CN disclosed