SCHEMBL20173388

SCHEMBL20173388

CCCCCCCCCCC(CCCCCCCC)COc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 2/20 0.52
SLC2A1 P11166 2/20 0.45
MGLL Q99685 1/20 0.43
NR5A1 Q13285 1/20 0.42
PLA2G4B P0C869 1/20 0.41
MAPT P10636 2/20 0.41
S1PR1 P21453 3/20 0.40
S1PR4 O95977 2/20 0.39
S1PR5 Q9H228 2/20 0.39
S1PR2 O95136 1/20 0.39
S1PR3 Q99500 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14337698 0.87 TDP1 (0.52) KDM4ETDP1MAPK1SLC2A1MAPT
SCHEMBL677334 0.87 TDP1 (0.52) KDM4ETDP1MAPK1SLC2A1MAPT
SCHEMBL762240 0.85 SLC2A1 (0.46) KDM4ESLC2A1NR5A1PLA2G4BMAPT
SCHEMBL20225053 0.85 SLC2A1 (0.46) KDM4ESLC2A1NR5A1PLA2G4BMAPT
SCHEMBL1931947 0.85 RARB (0.46) SLC2A1NR5A1PLA2G4BS1PR1S1PR4
SCHEMBL1582923 0.84 KDM4E (0.50) KDM4ETDP1MAPK1SLC2A1MGLL
SCHEMBL13007529 0.83 SLC2A1 (0.45) SLC2A1NR5A1PLA2G4BS1PR1S1PR4
SCHEMBL13007357 0.83 LTA4H (0.51) MAPK1SLC2A1PLA2G4BPRSS1PRSS2
SCHEMBL17640341 0.83 LTA4H (0.51) MAPK1SLC2A1PLA2G4BPRSS1PRSS2
SCHEMBL20024702 0.82 APP (0.49) KDM4ETDP1MAPK1SLC2A1SMN1; SMN2

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
US-20180175300-A1 ORGANIC THIN FILM TRANSISTOR, METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
US-20180175299-A1 ORGANIC THIN FILM TRANSISTOR, METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
US-20180145259-A1 ORGANIC SEMICONDUCTOR ELEMENT, COMPOUND, ORGANIC SEMICONDUCTOR COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-05-24 US disclosed