SCHEMBL8896867

SCHEMBL8896867

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
KDM4E B2RXH2 3/20 0.43
MAOB P27338 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP2 P08253 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
GPR35 Q9HC97 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8060779 0.90 ALOX5 (0.59) ALOX5KDM4EMAOBSMN1; SMN2HSD17B10
SCHEMBL8896743 0.87 ALOX5 (0.41) ALOX5KDM4EMAOBTAS1R3TAS1R1
SCHEMBL8896909 0.85 ALOX5 (0.54) ALOX5KDM4EMAOBSMN1; SMN2HSD17B10
SCHEMBL8896191 0.85 ALOX5 (0.53) ALOX5KDM4EMAOBSMN1; SMN2HSD17B10
SCHEMBL8897167 0.79 ALOX5 (0.54) ALOX5KDM4EMAOBSMN1; SMN2HSD17B10
SCHEMBL2395181 0.74 ALOX5 (1.00) ALOX5KDM4EMAOBSMN1; SMN2HSD17B10
SCHEMBL8498814 0.71 ALOX5 (0.56) ALOX5KDM4EMAOBSMN1; SMN2HSD17B10
SCHEMBL8069842 0.70 NPC1 (0.36) KDM4ESMN1; SMN2HSD17B10ALDH1A1CYP1A2
SCHEMBL8896525 0.69 ALOX5 (0.51) ALOX5KDM4EMAOBSMN1; SMN2HSD17B10
SCHEMBL8896870 0.68 ALOX5 (0.45) ALOX5KDM4EMAOBSMN1; SMN2HSD17B10

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