SCHEMBL10496148

SCHEMBL10496148

CCCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FAAH O00519 2/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 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
SCHEMBL10496131 0.95 MAPT (0.39) ALDH1A1MAPTHPGDTP53CYP1A2
SCHEMBL10496138 0.92 HPGD (0.41) ALDH1A1MAPTHPGDTP53CYP1A2
SCHEMBL10496140 0.91 ATM (0.38) ALDH1A1MAPTHPGDTP53CYP1A2
SCHEMBL10496117 0.91 ALDH1A1 (0.50) ALDH1A1MAPTHPGDTP53CYP1A2
SCHEMBL10496186 0.86 CYP1A2 (0.51) ALDH1A1MAPTHPGDTP53CYP1A2
SCHEMBL10496135 0.86 SMN1; SMN2 (0.38) ALDH1A1MAPTHPGDTP53CYP1A2
SCHEMBL10973577 0.86 HPGD (0.43) ALDH1A1MAPTHPGDTP53CYP1A2
SCHEMBL10496173 0.83 ALDH1A1 (0.39) ALDH1A1MAPTHPGDTP53CYP1A2
SCHEMBL10496168 0.83 CYP1A2 (0.52) ALDH1A1MAPTHPGDTP53CYP1A2
SCHEMBL8508358 0.81 ALDH1A1 (0.51) ALDH1A1MAPTHPGDTP53CYP1A2

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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