SCHEMBL10879059

SCHEMBL10879059

CCOC(=O)C=C(OC)C(C)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
HCAR2 Q8TDS4 1/20 0.38
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TRPA1 O75762 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.32
HSD17B10 Q99714 1/20 0.32
MDM2 Q00987 2/20 0.31
ALOX15 P16050 1/20 0.31
MDM4 O15151 1/20 0.31
SOAT1 P35610 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL10879052 1.00 NPSR1 (0.46) NPSR1HCAR2MGAMGAASI
SCHEMBL6432420 0.82 HCAR2 (0.40) HCAR2
SCHEMBL6432413 0.82 HCAR2 (0.40) HCAR2
SCHEMBL6432409 0.82 HCAR2 (0.40) HCAR2
SCHEMBL11118542 0.77 NPSR1 (0.48) NPSR1HCAR2MGAMGAASI
SCHEMBL11118540 0.77 NPSR1 (0.48) NPSR1HCAR2MGAMGAASI
SCHEMBL6432921 0.74 HCAR2 (0.34) HCAR2GAAALDH1A1
SCHEMBL6432924 0.74 HCAR2 (0.34) HCAR2GAAALDH1A1
SCHEMBL6432918 0.74 HCAR2 (0.34) HCAR2GAAALDH1A1
SCHEMBL9517479 0.73 NPSR1 (0.48) NPSR1HCAR2MGAMGAASI

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 8 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-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
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