SCHEMBL5790760

SCHEMBL5790760

C=CCOC(C)OC(C)OCC=C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL159503 0.88 LMNA (0.40) MEN1KMT2ATDP1LMNACA1
SCHEMBL22712840 0.87 CA1 (0.31) CA1CA2
SCHEMBL22712843 0.87 CA1 (0.31) CA1CA2
SCHEMBL1785605 0.85 CA1 (0.33) TDP1CA1CA2
SCHEMBL483349 0.85 TDP1 (0.31) TDP1
SCHEMBL5688482 0.81
SCHEMBL15384202 0.81 LMNA (0.35) MEN1KMT2ALMNA
SCHEMBL4958470 0.80 TSHR (0.40) TDP1
SCHEMBL441432 0.79
SCHEMBL2831806 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006023790-A1 CURABLE THIOCARBONATE COMPOUNDS AND COMPOSITIONS NOVEON, INC. (US) 2006-03-02 WO disclosed