SCHEMBL8896432

SCHEMBL8896432

CC(C)OC(=O)N(C(=O)[C@@H](N)C(C)C)C(C)c1cc2cc([N+](=O)[O-])ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 3/20 0.42
MAOB P27338 6/20 0.40
MAOA P21397 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MMP2 P08253 1/20 0.39
F12 P00748 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALOX5 P09917 1/20 0.36
XDH P47989 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8899224 0.88 POLB (0.40) CA12CA9GAAMAPTPOLB
SCHEMBL8896149 0.76 MAOB (0.49) CA12CA9GAAMAPTPOLB
Hydrochloric Acid SCHEMBL8899283 0.75 MAOB (0.48) CA12CA9GAAMAPTPOLB
SCHEMBL8896525 0.74 ALOX5 (0.51) MAOBMEN1KMT2AMMP2ALOX5
SCHEMBL2392090 0.74 ALOX5 (0.65) CA12CA9GAAMAPTPOLB
SCHEMBL9441415 0.72 POLB (0.52) CA12CA9GAAMAPTPOLB
SCHEMBL8771972 0.72 MAPT (0.47) GAAMAPTMAOBKMT2AALDH1A1
SCHEMBL8896428 0.71 CA12 (0.45) CA12CA9GAAMAPTPOLB
SCHEMBL9411031 0.70 CA12 (0.44) CA12CA9GAAMAPTPOLB
SCHEMBL8618928 0.70 CA12 (0.55) CA12CA9GAAMAPTPOLB

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
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP claimed
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed