SCHEMBL6506489

SCHEMBL6506489

CCOc1ccc(CC(C)CCCc2ccc(F)c(Oc3ccccc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
LTA4H P09960 1/20 0.43
SLC2A1 P11166 2/20 0.40
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
PPARG P37231 4/20 0.39
FDFT1 P37268 2/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CACNA1C Q13936 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
SCHEMBL10549349 0.85 LTA4H (0.41) SIGMAR1LTA4HSLC2A1FDFT1LPAR1
SCHEMBL10549602 0.84 LTA4H (0.42) SIGMAR1LTA4HPPARDPPARAPPARG
SCHEMBL407786 0.83 LTA4H (0.41) SIGMAR1LTA4HPPARDPPARAPPARG
SCHEMBL10652023 0.81 LTA4H (0.39) SIGMAR1LTA4HPPARDPPARAPPARG
SCHEMBL10650344 0.81 LTA4H (0.39) SIGMAR1LTA4HPPARDPPARAPPARG
SCHEMBL7950948 0.80 LTA4H (0.43) SIGMAR1LTA4HPPARDPPARAPPARG
SCHEMBL10546512 0.79 LTA4H (0.39) SIGMAR1LTA4HSLC2A1PPARDPPARA
SCHEMBL9801532 0.79 LTA4H (0.43) SIGMAR1LTA4HLPAR1LPAR5TDP1
SCHEMBL9801523 0.79 LTA4H (0.43) LTA4HTDP1CACNA1C
SCHEMBL393264 0.78 LTA4H (0.43) SIGMAR1LTA4HPPARAPPARGLPAR1

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
WO-2005026139-A1 NEMATICIDAL DIFLUOROALKENES BAYER CROPSCIENCE AG (DE) 2005-03-24 WO disclosed