SCHEMBL10496161

SCHEMBL10496161

CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1F)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ GMNN O75496 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ TSHR P16473 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ FPR2 P25090 2/20 0.43

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
SCHEMBL10496144 0.92 CYP1A2 (0.56) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL10973577 0.90 HPGD (0.43) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL10496168 0.89 CYP1A2 (0.52) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL10496206 0.88 ALDH1A1 (0.42) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL10496186 0.87 CYP1A2 (0.51) CYP1A2TP53CYP3A4ALOX15NFKB1
Quizalofop SCHEMBL1010164 0.86 ALDH1A1 (0.72) CYP1A2TP53CYP3A4ALOX15NFKB1
Quizalofop SCHEMBL111413 0.86 ALDH1A1 (0.72) CYP1A2TP53CYP3A4ALOX15NFKB1
Quizalofop SCHEMBL19210826 0.86 ALDH1A1 (0.72) CYP1A2TP53CYP3A4ALOX15NFKB1
Quizalofop SCHEMBL63325 0.86 ALDH1A1 (0.72) CYP1A2TP53CYP3A4ALOX15NFKB1
Quizalofop SCHEMBL29763487 0.86 ALDH1A1 (0.72) CYP1A2TP53CYP3A4ALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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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