SCHEMBL6930781

SCHEMBL6930781

CCOP(=O)(CCCNO)OCC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.54
TSHR P16473 2/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL19818738 0.83 PPARD (0.52) PPARDTSHRCA12CA1CA2
SCHEMBL11436912 0.82 PPARD (0.55) PPARDTSHRCA12CA1CA2
SCHEMBL5017294 0.79 PPARD (0.64) PPARDTSHRTP53TDP1
SCHEMBL7268189 0.79 PPARD (0.64) PPARDTSHRTP53TDP1
SCHEMBL11699849 0.79 CA12 (0.50) PPARDTSHRCA12CA1CA2
SCHEMBL491800 0.78 PPARD (0.62) PPARDTSHRCA12CA1CA2
SCHEMBL14679027 0.77 MEN1 (0.55) PPARDTSHRCA12CA1CA2
SCHEMBL7650101 0.77 TSHR (0.34) PPARDTSHRCA12CA1CA2
SCHEMBL11323349 0.77 PPARD (0.61) PPARDTSHRTP53TDP1
SCHEMBL7268183 0.77 PPARD (0.61) PPARDTSHRTP53TDP1

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-4182758-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-08 US claimed
EP-1071409-B1 USE OF ORGANOPHOSPHORIC COMPOUNDS FOR THE THERAPEUTIC AND PREVENTATIVE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2003-10-15 EP disclosed
US-4206156-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-06-03 US disclosed
US-4182758-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-08 US disclosed