SCHEMBL10880485

SCHEMBL10880485

CCOC(=O)CC(O)C(C)Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HTT P42858 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL11007231 0.89 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDCYP1A2
SCHEMBL11009311 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL10980558 0.87 MAPT (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDCYP1A2
SCHEMBL10878831 0.87 TSHR (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDCYP1A2
SCHEMBL8508358 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KDM4EHPGDCYP1A2
SCHEMBL10881162 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDCYP1A2
SCHEMBL10967029 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDCYP1A2
SCHEMBL10969382 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDCYP1A2
SCHEMBL10989567 0.79 CYP1A2 (0.57) ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL733453 0.78 MAPT (0.53) ALDH1A1SMN1; SMN2KDM4EHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050019-B1 3-KETO-4-(4'-AROMATICALLY SUBSTITUTED-PHENOXY) COMPOUNDS, THEIR 3- ALKYLATED ENOL AND 2,3-HYDROGENATED DERIVATIVES AND THE USE THEREOF FOR THE CONTROL OF WEEDS SANDOZ AG (CH) 1986-04-09 — — EP disclosed
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
US-4408076-A PRE- AND POSTEMERGENCE HERBICIDES ZOECON CORPORATION (US) 1983-10-04 — — US disclosed
EP-0050019-A1 3-Keto-4-(4'-aromatically substituted-phenoxy) compounds, their 3- alkylated enol and 2,3-hydrogenated derivatives and the use thereof for the control of weeds SANDOZ AG (CH) 1982-04-21 — — EP disclosed
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