SCHEMBL10980558

SCHEMBL10980558

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ GMNN O75496 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ P2RX3 P56373 1/20 0.36

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 0.90 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL11011172 0.88 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL10880485 0.87 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL10977019 0.83 MAPT (0.53) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL10989567 0.80 CYP1A2 (0.57) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL10977560 0.79 L3MBTL1 (0.61) MAPTSMN1; SMN2LMNAAPEX1L3MBTL1
SCHEMBL11012707 0.78 ALDH1A1 (0.59) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL10882047 0.77 MAPT (0.60) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL10709969 0.77 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL11114792 0.77 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2CYP1A2CYP3A4

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 4 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
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
Send feedback