SCHEMBL8767683

SCHEMBL8767683

BrCCCCOc1ccccc1.OCCCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.62
EPHX2 P34913 1/20 0.62
FFAR1 O14842 3/20 0.54
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
KCNA3 P22001 1/20 0.50
PLA2G4B P0C869 1/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
S1PR1 P21453 3/20 0.47
PPARG P37231 1/20 0.46
SLC2A1 P11166 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL4939834 0.94 LTA4H (0.56) LTA4HEPHX2FFAR1ALDH1A1PLA2G4B
SCHEMBL4517044 0.92 LTA4H (0.72) LTA4HEPHX2FFAR1ALDH1A1RECQL
SCHEMBL4521863 0.89 KCNA3 (0.59) LTA4HEPHX2FFAR1KCNA3DRD2
SCHEMBL21483679 0.89 LTA4H (0.57) LTA4HEPHX2FFAR1ALDH1A1
SCHEMBL13932991 0.89 LTA4H (0.72) LTA4HEPHX2FFAR1ALDH1A1RECQL
SCHEMBL4519292 0.87 LTA4H (0.65) LTA4HEPHX2FFAR1ALDH1A1RECQL
SCHEMBL4659369 0.85 LTA4H (0.73) LTA4HEPHX2FFAR1ALDH1A1PLA2G4B
SCHEMBL14463874 0.85 LTA4H (0.77) LTA4HEPHX2FFAR1ALDH1A1RECQL
SCHEMBL13932452 0.85 DRD2 (0.54) LTA4HEPHX2FFAR1KCNA3DRD2
SCHEMBL10741496 0.83 FFAR1 (0.55) LTA4HEPHX2FFAR1KCNA3PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 EP disclosed