SCHEMBL10973801

SCHEMBL10973801

COCCOCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ GMNN O75496 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTT P42858 5/20 0.41
▸ MEN1 O00255 4/20 0.41

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
SCHEMBL10976251 0.89 MAPT (0.61) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL10973795 0.87 MAPT (0.45) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL8508358 0.86 ALDH1A1 (0.51) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL733453 0.86 MAPT (0.53) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL10838995 0.85 MAPT (0.45) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL11299600 0.83 ALDH1A1 (0.52) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL10969382 0.83 ALDH1A1 (0.48) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL29393267 0.82 MAPT (0.58) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL10840202 0.82 MAPT (0.44) MAPTALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL9420221 0.82 ALDH1A1 (0.54) MAPTALDH1A1NPSR1CYP1A2CYP3A4

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
EP-0082699-B1 HERBICIDAL QUINOXALINYL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-13 — — EP claimed
EP-0082699-A1 Herbicidal quinoxalinyl ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-06-29 — — EP claimed
EP-0082699-B1 HERBICIDAL QUINOXALINYL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-13 — — EP disclosed
EP-0082699-A1 Herbicidal quinoxalinyl ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-06-29 — — EP disclosed
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