SCHEMBL10974652

SCHEMBL10974652

CC([C]=O)Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 8/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ GMNN O75496 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ RAB9A P51151 3/20 0.42

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
SCHEMBL11008454 0.83 HTT (0.51) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9420221 0.82 ALDH1A1 (0.54) HTTMEN1KMT2AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL10947367 0.81 ALDH1A1 (0.53) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9586772 0.81 ALDH1A1 (0.56) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7898481 0.81 HTT (0.51) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL733453 0.81 MAPT (0.53) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11299600 0.80 ALDH1A1 (0.52) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11009311 0.79 ALDH1A1 (0.45) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8508358 0.79 ALDH1A1 (0.51) HTTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10499485 0.78 ALDH1A1 (0.48) HTTMEN1KMT2AL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4561882-A HERBICIDES ZOECON CORPORATION (US) 1985-12-31 — — US disclosed
US-4529438-A A 1-(pyrid-2-yl-oxy-),4-(ester-keto-oxy)benzene compound ZOECON CORP. (US) 1985-07-16 — — US disclosed
US-4525205-A PRE- AND POSTEMERGENCE; WEED CONTROL ZOECON CORPORATION (US) 1985-06-25 — — US disclosed
US-4429167-A HERBICIDES ZOECON CORPORATION (US) 1984-01-31 — — US disclosed
EP-0085218-A1 3-keto-4-(4'-heterocyclic-substituted phenoxy) pentanoates their 3-methylated enol and 2,3- hydrogenated derivatives thereof for the control of weeds SANDOZ AG (CH) 1983-08-10 — — EP disclosed
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