SCHEMBL10973495

SCHEMBL10973495

CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(N)ccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ MAPT P10636 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ GMNN O75496 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
Quizalofop Ethyl Ester SCHEMBL30406 0.87 MAPT (0.67) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL8508358 0.87 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2HPGD
Quizalofop-P-Ethyl SCHEMBL53466 0.87 MAPT (0.67) ALDH1A1MAPTLMNASMN1; SMN2HPGD
Quizalofop Ethyl Ester SCHEMBL9139248 0.87 MAPT (0.67) ALDH1A1MAPTLMNASMN1; SMN2HPGD
Quizalofop-P-Ethyl SCHEMBL29474422 0.87 MAPT (0.67) ALDH1A1MAPTLMNASMN1; SMN2HPGD
Quizalofop-P-Ethyl SCHEMBL23045019 0.86 MAPT (0.66) ALDH1A1MAPTLMNASMN1; SMN2HPGD
Quizalofop Ethyl Ester SCHEMBL23045020 0.86 MAPT (0.66) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL10848461 0.85 HTT (0.58) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL10974409 0.85 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL10973419 0.84 LMNA (0.52) ALDH1A1MAPTLMNASMN1; SMN2HPGD

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-0023785-B1 QUINOXALINYLOXYPHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1985-04-03 — — EP disclosed
EP-0023785-A2 Quinoxalinyloxyphenoxyalkane carboxylic acid derivatives, their preparation and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1981-02-11 — — EP disclosed
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