SCHEMBL1742199

SCHEMBL1742199

CCc1ccc(C2C(=O)C(C)(C)OC(C)(C)C2=O)cc1Oc1cccc(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
BACE1 P56817 1/20 0.34
SCN9A Q15858 2/20 0.33
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
MGLL Q99685 1/20 0.32
HRH4 Q9H3N8 2/20 0.31
FPR2 P25090 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
P2RX3 P56373 2/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL417277 0.82 BACE1 (0.41) BACE1SCN9ASCN7AKCNH2LOXL2
SCHEMBL1741598 0.76 PTGS1 (0.38) KCNH2KDM4ENPSR1
SCHEMBL10195034 0.71 BACE1 (0.37) BACE1SCN9ASCN7AKCNH2LOXL2
SCHEMBL406549 0.64 MAPK1 (0.51) SCN9ALMNANPSR1
SCHEMBL9105297 0.61 LOXL2 (0.45) BACE1SCN9ASCN7AKCNH2LOXL2
SCHEMBL413841 0.60 MMP14 (0.42) SCN9AKCNH2KDM4E
SCHEMBL13064185 0.60 GRM5 (0.50) KDM4ELMNACYP1A2CYP2C19NPSR1
SCHEMBL31608506 0.60 GRM5 (0.50) KDM4ELMNACYP1A2CYP2C19NPSR1
SCHEMBL171631 0.59 MEN1 (0.47) BACE1SCN9ASCN7AKCNH2LOXL2
SCHEMBL30834433 0.59 RXRA (0.35) ALOX5APFEN1BACE1SCN9ASCN7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387569-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2011-11-23 EP disclosed
WO-2010081755-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-07-22 WO disclosed