SCHEMBL9754472

SCHEMBL9754472

CCOC(=O)c1c(O)cccc1-c1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 1/20 0.58
CDC7 O00311 8/20 0.55
DBF4 Q9UBU7 8/20 0.55
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
IMPDH2 P12268 1/20 0.46
MAPK14 Q16539 1/20 0.45
CASP1 P29466 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
CYP1A2 P05177 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4320540 0.87 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL9754631 0.83 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL9754386 0.82 TDP1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL5788019 0.81 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL9754581 0.79 PRKCZ (0.60) CA12CA1CA2CA7CA9
SCHEMBL14352130 0.78 ALDH1A1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL7642688 0.78 TSHR (0.61) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL18803865 0.77 ALDH1A1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL147754 0.75 CA12 (0.85) CA12CA1CA2CA7CA9
SCHEMBL12855018 0.73 CA12 (0.82) CA12CA1CA2CA7CA9

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-1991013065-A1 6-ARYL-2-SUBSTITUTED BENZOIC ACID HERBICIDES FMC CORPORATION (US) 1991-09-05 WO disclosed