SCHEMBL4678700

SCHEMBL4678700

CC(C)CCOC(=O)C(C)(C)[S]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CYP19A1 P11511 1/20 0.38
PKM P14618 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 3/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 1/20 0.34
LMNA P02545 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
MMP8 P22894 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
SCHEMBL4679138 0.88 BLM (0.37) CA1CA12CA2CA9GAA
SCHEMBL7947102 0.83 CA1 (0.43) CA1CA12CA2CA9CYP19A1
SCHEMBL2691885 0.83 CA12 (0.43) CA1CA12CA2CA9CYP19A1
SCHEMBL4676916 0.81 CA1 (0.42) CA1CA12CA2CA9CYP19A1
SCHEMBL4678707 0.81 CA1 (0.42) CA1CA12CA2CA9CYP19A1
SCHEMBL4676919 0.81 CA1 (0.42) CA1CA12CA2CA9CYP19A1
SCHEMBL4676320 0.79 CA1 (0.41) CA1CA12CA2CA9CYP19A1
SCHEMBL4676326 0.79 CA1 (0.41) CA1CA12CA2CA9CYP19A1
SCHEMBL20149746 0.79 CYP19A1 (0.41) CA1CA12CA2CA9CYP19A1
SCHEMBL26356853 0.79 CA1 (0.41) CA1CA12CA2CA9CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095935-B1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL CO (JP) 2008-12-17 EP disclosed
EP-1101761-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL CO (JP) 2005-08-17 EP disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6339155-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-15 US disclosed
EP-1101761-A2 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-23 EP disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP disclosed