SCHEMBL11514944

SCHEMBL11514944

CCCCCCCCCc1ccc(O)cc1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPT P10636 2/20 0.55
TYR P14679 2/20 0.55
HTT P42858 2/20 0.55
TP53 P04637 1/20 0.55
ALOX5 P09917 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
USP2 O75604 2/20 0.49
GAA P10253 2/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48

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
SCHEMBL4302289 0.89 MEN1 (0.53) MEN1KMT2ACYP3A4MAPTTYR
SCHEMBL8340319 0.85 TYR (0.56) MEN1KMT2ACYP3A4MAPTTYR
Benzene SCHEMBL11504828 0.85 MAPT (0.61) MEN1KMT2ACYP3A4MAPTTYR
SCHEMBL28891018 0.84 LIPG (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL31405271 0.84 LIPG (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28412366 0.84 LIPG (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11002989 0.84 LIPG (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9559479 0.84 LIPG (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL1534314 0.84 LIPG (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28348884 0.84 LIPG (0.51) BIDMCL1BCL2L1BAK1KAT8

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
US-4133834-A REACTING HYDROXYLAMINE WITH A KETONE, IRON CATALYSTS ALLIED CHEMICAL CORPORATION (US) 1979-01-09 US claimed
US-4133834-A REACTING HYDROXYLAMINE WITH A KETONE, IRON CATALYSTS ALLIED CHEMICAL CORPORATION (US) 1979-01-09 US disclosed