SCHEMBL4672971

SCHEMBL4672971

C#CCOC(=O)C(C)(C)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
THPO P40225 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2478567 0.82 NPC1 (0.41) NPC1CA12CA1CA2CA9
SCHEMBL27657800 0.82 NPC1 (0.41) NPC1CA12CA1CA2CA9
SCHEMBL4668011 0.82 NPC1 (0.35) NPC1CA12CA1CA2CA9
SCHEMBL16815032 0.80 NPC1 (0.39) NPC1CA12CA1CA2CA9
SCHEMBL4677672 0.80 NPC1 (0.39) NPC1CA12CA1CA2CA9
SCHEMBL4677677 0.80 NPC1 (0.39) NPC1CA12CA1CA2CA9
SCHEMBL18301201 0.78 NPC1 (0.38) NPC1CA12CA1CA2CA9
SCHEMBL4676580 0.78 NPC1 (0.38) NPC1CA12CA1CA2CA9
SCHEMBL4672967 0.78 NPC1 (0.38) NPC1CA12CA1CA2CA9
SCHEMBL4676587 0.78 NPC1 (0.38) NPC1CA12CA1CA2CA9

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 3 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
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 EP disclosed