SCHEMBL11010222

SCHEMBL11010222

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FPR2 P25090 3/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ HTT P42858 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
SCHEMBL29038584 1.00 CYP1A2 (0.47) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL11010535 0.86 L3MBTL1 (0.38) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL11013817 0.83 ALDH1A1 (0.61) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL9473334 0.82 CYP1A2 (0.43) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL9473327 0.82 CYP1A2 (0.43) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL30469352 0.81 MAPT (0.56) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL27259282 0.81 CYP1A2 (0.56) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL11114198 0.81 MAPT (0.56) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL9587966 0.81 CYP1A2 (0.56) CYP1A2TP53CYP3A4ALOX15NFKB1
SCHEMBL10414560 0.81 MAPT (0.56) CYP1A2TP53CYP3A4ALOX15NFKB1

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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