SCHEMBL28219801

SCHEMBL28219801

CC1=C(C)C(C)=C(C)[C]1C1C=C(c2ccccc2)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
PTPRC P08575 1/20 0.30
PTPRF P10586 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25B P30305 1/20 0.30
BACE1 P56817 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
SCHEMBL28219791 0.87 HTR2C (0.35)
SCHEMBL28302273 0.85
SCHEMBL28219444 0.85 EDNRB (0.36) ALDH1A1MAPK1
SCHEMBL28860142 0.84 TAAR1 (0.39)
SCHEMBL28219808 0.82 HSD11B1 (0.32)
SCHEMBL28302319 0.82 ESR2 (0.34)
SCHEMBL28219413 0.82 CYP2A6 (0.36) PTPRC
SCHEMBL28219790 0.82 IMPDH2 (0.33)
SCHEMBL28860141 0.81 IDO1 (0.36) ALDH1A1MAPK1
SCHEMBL28219407 0.80 TNKS2 (0.33)

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-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-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