SCHEMBL5082813

SCHEMBL5082813

[CH]1C=Cc2cccc(-c3ccccc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37
BACE1 P56817 1/20 0.33
DPP4 P27487 1/20 0.33
MGLL Q99685 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HNF4A P41235 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LIMK1 P53667 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
PLK4 O00444 1/20 0.32
MAPK9 P45984 1/20 0.32

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
SCHEMBL6537045 0.96 ALDH1A1 (0.30) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL26190 0.83 ALDH1A1 (0.37) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL27463443 0.82 ALDH1A1 (0.35) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL6245157 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL6650232 0.80 PTGS2 (0.36) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL6537049 0.78 ALDH1A1 (0.30) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL20972417 0.77 CYP2A6 (0.36) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL27463823 0.77 CYP2A6 (0.36) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL27477693 0.77 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL27462619 0.77 CYP2A6 (0.36) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6

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
EP-1473323-B1 Polyethylene composition and process for producing same TOSOH CORP (JP) 2016-04-27 EP disclosed
CN-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN 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