SCHEMBL7744878

SCHEMBL7744878

CCOC(=O)COc1ccc(Oc2c[c]c(F)cc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
NLRP3 Q96P20 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
TP53 P04637 1/20 0.40
AR P10275 1/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7745375 0.91 PPARA (0.43) NPSR1GAAALDH1A1KMT2AL3MBTL1
SCHEMBL5841619 0.87 NLRP3 (0.43) ALDH1A1KMT2AL3MBTL1MEN1POLB
SCHEMBL7740125 0.83 GAA (0.46) NPSR1GAAALDH1A1L3MBTL1POLB
SCHEMBL5536693 0.78 ALDH1A1 (0.50) NPSR1GAAALDH1A1KMT2AL3MBTL1
SCHEMBL7744905 0.76 POLB (0.53) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL7747655 0.76 AR (0.40) GAAKMT2AMEN1POLBAR
SCHEMBL7744812 0.76 GSTP1 (0.38) GAAKMT2AMEN1POLBAR
SCHEMBL6595259 0.75 AR (0.48) NPSR1GAAALDH1A1KMT2AMEN1
SCHEMBL7747650 0.74 PPARA (0.45) NPSR1GAAALDH1A1POLBNLRP3
SCHEMBL30437174 0.73 FFAR1 (0.51) GAAALDH1A1NLRP3KDM4EMAPT

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-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed