SCHEMBL10973419

SCHEMBL10973419

CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc([N+](=O)[O-])ccc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ MAPT P10636 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ GMNN O75496 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPC1 O15118 2/20 0.47
▸ NPBWR1 P48145 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47

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
SCHEMBL3718562 0.84 HTT (0.62) LMNARAB9AHTTMAPTALDH1A1
Quizalofop Ethyl Ester SCHEMBL9139248 0.84 MAPT (0.67) LMNARAB9AHTTMAPTALDH1A1
Quizalofop-P-Ethyl SCHEMBL53466 0.84 MAPT (0.67) LMNARAB9AHTTMAPTALDH1A1
Quizalofop-P-Ethyl SCHEMBL29474422 0.84 MAPT (0.67) LMNARAB9AHTTMAPTALDH1A1
SCHEMBL10973495 0.84 ALDH1A1 (0.51) LMNARAB9AHTTMAPTALDH1A1
Quizalofop Ethyl Ester SCHEMBL30406 0.84 MAPT (0.67) LMNARAB9AHTTMAPTALDH1A1
SCHEMBL8508358 0.84 ALDH1A1 (0.51) LMNARAB9AHTTMAPTALDH1A1
Quizalofop-P-Ethyl SCHEMBL23045019 0.83 MAPT (0.66) LMNARAB9AHTTMAPTALDH1A1
Quizalofop Ethyl Ester SCHEMBL23045020 0.83 MAPT (0.66) LMNARAB9AHTTMAPTALDH1A1
SCHEMBL10848461 0.82 HTT (0.58) LMNARAB9AHTTMAPTALDH1A1

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
Send feedback