SCHEMBL10496123

SCHEMBL10496123

CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ GMNN O75496 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ SCN9A Q15858 5/20 0.43
▸ FPR2 P25090 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ EPHX2 P34913 2/20 0.39
▸ MET P08581 1/20 0.38

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
SCHEMBL10496168 0.94 CYP1A2 (0.52) LMNAMAPTTP53CYP1A2CYP3A4
Quizalofop-P-Ethyl SCHEMBL29474422 0.88 MAPT (0.67) LMNAMAPTTP53CYP1A2CYP3A4
Quizalofop Ethyl Ester SCHEMBL9139248 0.88 MAPT (0.67) LMNAMAPTTP53CYP1A2CYP3A4
Quizalofop-P-Ethyl SCHEMBL53466 0.88 MAPT (0.67) LMNAMAPTTP53CYP1A2CYP3A4
Quizalofop Ethyl Ester SCHEMBL30406 0.88 MAPT (0.67) LMNAMAPTTP53CYP1A2CYP3A4
Quizalofop-P-Ethyl SCHEMBL23045019 0.87 MAPT (0.66) LMNAMAPTTP53CYP1A2CYP3A4
Quizalofop Ethyl Ester SCHEMBL23045020 0.87 MAPT (0.66) LMNAMAPTTP53CYP1A2CYP3A4
SCHEMBL10496186 0.86 CYP1A2 (0.51) LMNAMAPTTP53CYP1A2CYP3A4
SCHEMBL10496117 0.85 ALDH1A1 (0.50) LMNAMAPTTP53CYP1A2CYP3A4
Quizalofop Ethyl Ester SCHEMBL8537282 0.85 CYP1A2 (0.63) LMNAMAPTTP53CYP1A2CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4803273-A HERBICIDES ICI AUSTRALIA LIMITED (AU) 1989-02-07 — — US disclosed
US-4655819-A Quinoxalinyloxy phenoxy proprionic acid derivatives as selective herbicides ICI AUSTRALIA LIMITED (AU) 1987-04-07 — — US disclosed
EP-0060607-B1 2-(2-HALO-4-(6-HALOQUINOXALIN-2-YLOXY)PHENOXY)PROPIONATES, PROCESS FOR THEIR SYNTHESIS, HERBICIDAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1985-08-28 — — EP disclosed
EP-0060607-A1 2-(2-halo-4-(6-haloquinoxalin-2-yloxy)phenoxy)propionates, process for their synthesis, herbicidal compositions containing them and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1982-09-22 — — EP disclosed
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