SCHEMBL28025547

SCHEMBL28025547

COc1cccc(C2=C[CH]c3ccccc32)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
MAOB P27338 1/20 0.43
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2E1 P05181 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C8 P10632 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2A6 P11509 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP4B1 P13584 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP3A5 P20815 2/20 0.42
CYP2A7 P20853 2/20 0.42
CYP3A7 P24462 2/20 0.42
CYP2F1 P24903 2/20 0.42
CYP2C18 P33260 2/20 0.42

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
SCHEMBL28025967 0.87 ABL1 (0.51) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL28219798 0.81 PTPN1 (0.50) ABL1ABCB1BCRHDAC4HDAC8
SCHEMBL28512208 0.78 RAB9A (0.39) DYRK1ACLK4ADORA1ABL1NPC1
SCHEMBL2020140 0.77 ABL1 (0.59) DYRK1ACLK4ADORA2AADORA1MAOB
SCHEMBL28025937 0.75 PTAFR (0.40) ADORA2AADORA1MAOBNPC1TP53
SCHEMBL28025419 0.75 TAAR1 (0.39) ADORA2AMAOBTP53NFKB1NFKB2
SCHEMBL5076754 0.74 ALDH1A1 (0.41) MAOBCYP2A6HDAC4HDAC8TDP1
SCHEMBL28025513 0.74 ALDH1A1 (0.41) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL28025990 0.74 BCL2 (0.40) CYP1A2CYP2A6NPC1TP53RAB9A
SCHEMBL28025943 0.74 KIF11 (0.44) HDAC4HDAC8NPC1NFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109824802-A Metallocenic compound, catalyst system and the polymerization using them of bridging 埃克森美孚化学专利公司 2019-05-31 CN claimed
CN-108137729-B Catalysts for forming multimodal polymers 埃克森美孚化学专利公司 2021-02-05 CN disclosed
CN-109824802-A Metallocenic compound, catalyst system and the polymerization using them of bridging 埃克森美孚化学专利公司 2019-05-31 CN disclosed
CN-108137729-A It is used to form the catalyst of multimodal polymer 埃克森美孚化学专利公司 2018-06-08 CN disclosed
CN-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN disclosed