SCHEMBL10877255

SCHEMBL10877255

CCOC(=O)CC(=O)C(C)Oc1ccc(Oc2ccc3cc(F)ccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ MAOB P27338 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ GMNN O75496 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ GAA P10253 2/20 0.37

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
SCHEMBL10915307 0.89 TSHR (0.46) TSHRMAOBALDH1A1HPGDMAPT
SCHEMBL10881162 0.86 ALDH1A1 (0.47) TSHRMAOBALDH1A1HPGDMAPT
SCHEMBL11404881 0.84 MAPT (0.50) ALDH1A1HPGDMAPTSMN1; SMN2NPSR1
SCHEMBL10939181 0.84 TSHR (0.42) TSHRMAOBALDH1A1HPGDMAPT
SCHEMBL10878831 0.83 TSHR (0.41) TSHRMAOBALDH1A1HPGDMAPT
SCHEMBL11304752 0.82 GAA (0.44) TSHRALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL10839775 0.82 GAA (0.43) TSHRMAPTTP53CYP1A2CYP3A4
SCHEMBL10838863 0.82 CYP1A2 (0.43) ALDH1A1HPGDMAPTSMN1; SMN2NPSR1
SCHEMBL9587752 0.81 MAPT (0.45) ALDH1A1HPGDMAPTSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL10947196 0.81 CYP1A2 (0.43) ALDH1A1HPGDMAPTSMN1; SMN2NPSR1

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
Send feedback