SCHEMBL9754581

SCHEMBL9754581

CCOC(=O)c1c(O)cccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
AR P10275 8/20 0.57
MAPT P10636 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL2168405 0.83 PRKCZ (0.56) PRKCZARMAPTALDH1A1MAPK1
SCHEMBL4320540 0.82 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL9754631 0.81 CA12 (0.66) PRKCZCA12CA1CA2CA7
SCHEMBL7640668 0.80 MAPT (0.57) PRKCZARMAPTGAARAB9A
SCHEMBL9754422 0.79 CA1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9754472 0.79 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL5788019 0.77 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL11518208 0.75 PRKCZ (1.00) PRKCZARMAPTALDH1A1MAPK1
SCHEMBL28362521 0.75 KCNJ1 (0.64) PRKCZCA12CA1CA2CA7
SCHEMBL9874545 0.74 PRKCZ (0.54) PRKCZARMAPTALDH1A1MAPK1

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