SCHEMBL11010535

SCHEMBL11010535

CC(C=O)Oc1ccc(Oc2ccc3cc(F)ccc3n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ SCN9A Q15858 7/20 0.37
▸ FPR2 P25090 4/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ GMNN O75496 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ APEX1 P27695 1/20 0.35

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
SCHEMBL11010222 0.86 CYP1A2 (0.47) L3MBTL1ALDH1A1SCN9AFPR2MEN1
SCHEMBL29038584 0.86 CYP1A2 (0.47) L3MBTL1ALDH1A1SCN9AFPR2MEN1
SCHEMBL11008454 0.84 HTT (0.51) L3MBTL1ALDH1A1SCN9AFPR2MAPK14
SCHEMBL10838863 0.82 CYP1A2 (0.43) ALDH1A1SCN9AFPR2TP53CYP1A2
SCHEMBL10469461 0.82 PPARG (0.37) L3MBTL1ALDH1A1BACE1SCN9AFPR2
SCHEMBL10469462 0.82 PPARG (0.37) L3MBTL1ALDH1A1BACE1SCN9AFPR2
Hydrochloric Acid SCHEMBL10947196 0.81 CYP1A2 (0.43) ALDH1A1SCN9AFPR2TP53CYP1A2
SCHEMBL9587752 0.81 MAPT (0.45) L3MBTL1ALDH1A1BACE1SCN9AFPR2
SCHEMBL11404881 0.81 MAPT (0.50) L3MBTL1ALDH1A1SCN9AFPR2MEN1
SCHEMBL11110166 0.79 L3MBTL1 (0.45) L3MBTL1ALDH1A1BACE1SCN9AMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4522647-A Substituted phenoxyalkanediones and their herbicidal method of use ZOECON CORPORATION (US) 1985-06-11 — — US disclosed
US-4469872-A Substituted pyridyloxyphenoxyhydroxyketones ZOECON CORPORATION (US) 1984-09-04 — — US disclosed
EP-0109483-A1 Substituted phenoxyalkane diones, intermediates for these compounds and the use of phenoxyalkane diones in the control of weeds ZOECON CORPORATION (US) 1984-05-30 — — EP disclosed
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