SCHEMBL9754631

SCHEMBL9754631

CCOC(=O)c1c(O)cccc1-c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
CA9 Q16790 2/20 0.66
CA7 P43166 1/20 0.66
CA14 Q9ULX7 1/20 0.66
PRKCZ Q05513 2/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALOX5 P09917 7/20 0.52
PTGES O14684 2/20 0.52
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
MAPT P10636 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.47

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) CA12CA1CA2CA9CA7
SCHEMBL9754472 0.83 CA12 (0.66) CA12CA1CA2CA9CA7
SCHEMBL9754469 0.82 TDP1 (0.51) PRKCZALDH1A1MEN1KMT2AALOX5
SCHEMBL9754581 0.81 PRKCZ (0.60) CA12CA1CA2CA9CA7
SCHEMBL5788019 0.81 CA12 (1.00) CA12CA1CA2CA9CA7
SCHEMBL2339088 0.79 CA12 (0.79) CA12CA1CA2CA9CA7
SCHEMBL18803865 0.77 ALDH1A1 (0.59) CA12CA1CA2CA9CA7
SCHEMBL9754382 0.77 CA1 (0.55) CA12CA1CA2CA9CA7
SCHEMBL5937237 0.75 CA12 (0.62) CA12CA1CA2CA9CA7
SCHEMBL27294436 0.75 PRKCZ (0.54) CA12CA1CA2CA9PRKCZ

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