SCHEMBL4848527

SCHEMBL4848527

O=C1CSC(c2cccc(Oc3ccc(O)cc3)c2)(c2ccccc2C(F)(F)F)N1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
KIF11 P52732 1/20 0.35
PDK2 Q15119 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
LTA4H P09960 1/20 0.33
BAX Q07812 1/20 0.33
SCN9A Q15858 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ESRRA P11474 1/20 0.32
BRS3 P32247 1/20 0.32
ADAM17 P78536 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
SCHEMBL4810958 0.74 KIF11 (0.43) KIF11ADAMTS5LTA4HSCN9AALDH1A1
SCHEMBL9589615 0.61 LTA4H (0.53) NR1H2KIF11LTA4HBAXALDH1A1
SCHEMBL4043144 0.61 LTA4H (0.53) NR1H2KIF11LTA4HBAXALDH1A1
SCHEMBL9589071 0.60 LTA4H (0.52) NR1H2KIF11LTA4HBAXALDH1A1
SCHEMBL9588710 0.60 LTA4H (0.82) NR1H2LTA4HBAXALDH1A1GAA
SCHEMBL249608 0.60 LTA4H (0.73) NR1H2LTA4HBAXALDH1A1GAA
SCHEMBL3167834 0.60 LTA4H (0.73) NR1H2LTA4HBAXALDH1A1GAA
SCHEMBL4308678 0.60 LTA4H (0.51) NR1H2LTA4HBAXGAA
SCHEMBL8632090 0.59 AR (0.47) NR1H2NR1H3PDK2LTA4HBAX
SCHEMBL9588167 0.59 LTA4H (0.53) NR1H2LTA4HBAXSCN9AALDH1A1

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-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed