SCHEMBL9550387

SCHEMBL9550387

CO/C=C/C(=O)O.Cc1c(-c2ccc(Br)c(C(F)(F)F)c2)oc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.36
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOTUM Q6P988 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.33
ATM Q13315 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33

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
SCHEMBL9028355 0.70 MAPT (0.41) MEN1MAPTKMT2ALMNANOTUM
SCHEMBL9028253 0.69 MAPT (0.38) MEN1MAPTKMT2ALMNANOTUM
SCHEMBL11826308 0.64 CA12 (0.56) L3MBTL1MEN1MAPTKMT2ALMNA
SCHEMBL29839908 0.62 ABCG2 (0.54) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL2620726 0.62 ABCG2 (0.54) MEN1MAPTKMT2ALMNAKDM4E
SCHEMBL26828215 0.62 GABRP (0.54) L3MBTL1MEN1MAPTKMT2ALMNA
SCHEMBL11820647 0.62 MEN1 (0.44) L3MBTL1MEN1MAPTKMT2ALMNA
SCHEMBL25159218 0.62 CHRM2 (0.42) L3MBTL1MEN1MAPTKMT2ALMNA
SCHEMBL13049740 0.61 L3MBTL1 (0.41) L3MBTL1MEN1MAPTKMT2ALMNA
SCHEMBL1042573 0.61 NOTUM (0.50) MEN1MAPTKMT2ALMNAALDH1A1

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
US-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US claimed