SCHEMBL5549968

SCHEMBL5549968

COc1c(-c2ccccc2)ccc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.55
FEN1 P39748 2/20 0.55
PDE4B Q07343 5/20 0.41
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
PTGS2 P35354 5/20 0.39
AR P10275 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36

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
SCHEMBL27707009 0.86 ALOX5AP (0.48) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL29349909 0.81 ALOX5AP (0.52) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL28039230 0.81 PDE4B (0.50) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL29546745 0.79 PDE4B (0.47) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL29098923 0.79 PDE4B (0.47) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL29353186 0.78 ALOX5AP (0.45) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL6607015 0.78 ALOX5AP (0.45) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL28081752 0.77 ALOX5AP (0.48) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL9427603 0.76 ALOX5AP (0.48) ALOX5APFEN1PDE4BPDE4APDE4C
SCHEMBL26259789 0.75 ALDH1A1 (0.54) ALOX5APFEN1PDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829356-A Heterocyclic compound and organic light-emitting element including same LT素材株式会社 2022-07-29 CN disclosed
CN-100372825-C 3,4-difluoro-2-methoxyl biphenyl derivative and its prepn process and application UNIV TSINGHUA (CN) 2008-03-05 CN disclosed
CN-100372825-C 3,4-difluoro-2-methoxyl biphenyl derivative and its prepn process and application UNIV TSINGHUA (CN) 2008-03-05 CN disclosed
EP-1771243-A1 POROUS ARTICLE FOR DELIVERING CHEMICAL SUBSTANCES H.Lundbeck A/S (DK) 2007-04-11 EP disclosed
CN-1847211-A 3,4-difluoro-2-methoxyl biphenyl derivative and its prepn process and application UNIV TSINGHUA (CN) 2006-10-18 CN disclosed
CN-1847211-A 3,4-difluoro-2-methoxyl biphenyl derivative and its prepn process and application UNIV TSINGHUA (CN) 2006-10-18 CN disclosed
CN-1847211-A 3,4-difluoro-2-methoxyl biphenyl derivative and its prepn process and application UNIV TSINGHUA (CN) 2006-10-18 CN disclosed
WO-2006000227-A1 POROUS ARTICLE FOR DELIVERING CHEMICAL SUBSTANCES H. LUNDBECK A/S (DK) 2006-01-05 WO disclosed
EP-0718387-B1 A liquid crystal composition and a liquid crystal display element which contains it SHINETSU CHEMICAL CO (JP) 2001-03-14 EP disclosed
CN-1051926-A ELECTROOPTIC LIQUID CRYSTAL SYSTEM MERCK PATENT GES MIT BESSCHRAN (DE) 1991-06-05 CN disclosed