SCHEMBL10496186

SCHEMBL10496186

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ GMNN O75496 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ FPR2 P25090 3/20 0.42
▸ SCN9A Q15858 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL10496117 0.96 ALDH1A1 (0.50) CYP1A2SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL10496168 0.93 CYP1A2 (0.52) CYP1A2SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL10496131 0.91 MAPT (0.39) CYP1A2SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL10496135 0.89 SMN1; SMN2 (0.38) CYP1A2SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL10973729 0.88 MAPT (0.65) CYP1A2SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL10496161 0.87 CYP1A2 (0.56) CYP1A2SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL10496144 0.87 CYP1A2 (0.56) CYP1A2SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL10496148 0.86 ALDH1A1 (0.39) CYP1A2SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL10496123 0.86 LMNA (0.53) CYP1A2SMN1; SMN2TP53CYP3A4ALOX15
SCHEMBL10496140 0.85 ATM (0.38) CYP1A2SMN1; SMN2TP53CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4655819-A Quinoxalinyloxy phenoxy proprionic acid derivatives as selective herbicides ICI AUSTRALIA LIMITED (AU) 1987-04-07 — — US claimed
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
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 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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