SCHEMBL11011172

SCHEMBL11011172

CC(=O)CC(O)C(C)Oc1ccc(Oc2cnc3cc(Cl)c(Cl)cc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ GMNN O75496 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ HTT P42858 5/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL11012707 0.90 ALDH1A1 (0.59) ALDH1A1MAPTCYP1A2NPSR1CYP3A4
SCHEMBL10980558 0.88 MAPT (0.48) ALDH1A1MAPTCYP1A2NPSR1CYP3A4
SCHEMBL11009311 0.85 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2NPSR1CYP3A4
SCHEMBL11091004 0.83 NPSR1 (0.43) ALDH1A1MAPTCYP1A2NPSR1CYP3A4
SCHEMBL10709969 0.80 ALDH1A1 (0.62) ALDH1A1MAPTCYP1A2NPSR1CYP3A4
SCHEMBL11114792 0.80 ALDH1A1 (0.62) ALDH1A1MAPTCYP1A2NPSR1CYP3A4
SCHEMBL10989567 0.80 CYP1A2 (0.57) ALDH1A1MAPTCYP1A2NPSR1CYP3A4
Hydrochloric Acid SCHEMBL10951561 0.79 ALDH1A1 (0.61) ALDH1A1MAPTCYP1A2NPSR1CYP3A4
SCHEMBL11009479 0.79 TP53 (0.46) ALDH1A1MAPTCYP1A2NPSR1CYP3A4
SCHEMBL11007231 0.78 ALDH1A1 (0.56) ALDH1A1MAPTCYP1A2NPSR1CYP3A4

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
US-4522647-A Substituted phenoxyalkanediones and their herbicidal method of use ZOECON CORPORATION (US) 1985-06-11 — — 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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