SCHEMBL9544993

SCHEMBL9544993

CC(CO)Oc1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EGFR P00533 3/20 0.38
ITK Q08881 1/20 0.38
TRPA1 O75762 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
P2RX3 P56373 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
TRPV3 Q8NET8 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 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
SCHEMBL2342051 0.86 PSEN1 (0.38) TRPA1ALOX5APFEN1
SCHEMBL2342044 0.86 PSEN1 (0.38) TRPA1ALOX5APFEN1
SCHEMBL15672721 0.84 MRGPRX4 (0.40) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL15672725 0.84 MRGPRX4 (0.40) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL24486489 0.83 PPARG (0.37) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL3513162 0.83 GAA (0.40) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL2348908 0.83 GAA (0.40) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL2356555 0.83 GAA (0.40) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL24486505 0.83 PPARG (0.37) MEN1MAPTHPGDKMT2AL3MBTL1
SCHEMBL13185265 0.81 PPARG (0.37) EGFRITKCARM1PRMT6

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-1993016033-A1 CYCLOHEXENONE OXIME ETHERS, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO disclosed