SCHEMBL28025440

SCHEMBL28025440

CCc1ccc(C2=C[CH]c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
PTAFR P25105 1/20 0.40
RPS6KA2 Q15349 1/20 0.37
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.36
F2 P00734 1/20 0.36
VDR P11473 1/20 0.36
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL28303681 0.86 LPL (0.34) MAPTNPC1RAB9A
SCHEMBL28025953 0.83 HSD11B1 (0.44) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28025444 0.82 TAAR1 (0.48) TP53SMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL28025990 0.81 BCL2 (0.40) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL28515419 0.81 NPC1 (0.39) TP53PTAFRMAPTSMN1; SMN2NPC1
SCHEMBL5076754 0.78 ALDH1A1 (0.41) ALDH1A1MAPK1CYP2A6TDP1
SCHEMBL28303649 0.77 ALDH1A1 (0.39) ALDH1A1MAPK1CYP2A6
SCHEMBL28025966 0.76 PTGS2 (0.38) PTAFRRPS6KA2MAPTSMN1; SMN2NPC1
SCHEMBL28025982 0.76 CYP1A2 (0.43) TP53PTAFRMAPTSMN1; SMN2NPC1
SCHEMBL28219798 0.75 PTPN1 (0.50) TP53PTAFRMAPTSMN1; SMN2NPC1

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
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-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN disclosed