SCHEMBL4644793

SCHEMBL4644793

C[CH]C(=O)Oc1c(O)cccc1C=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
ERN1 O75460 5/20 0.47
TRIM24 O15164 2/20 0.46
TRIM33 Q9UPN9 2/20 0.46
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
SRC P12931 2/20 0.39
IAPP P10997 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 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
SCHEMBL4645689 0.83 CA1 (0.66) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4642393 0.83 CA1 (0.57) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4647875 0.82 ERN1 (0.47) CA1CA2ERN1TLR2TLR1
SCHEMBL4642146 0.81 SRC (0.57) CA1CA2ERN1TLR2TLR1
SCHEMBL4643524 0.80 CA1 (0.54) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4645683 0.79 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4641676 0.77 ALDH1A1 (0.45) CA1CA2ERN1TLR2TLR1
SCHEMBL470709 0.77 CA1 (1.00) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4647336 0.77 CA1 (0.57) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4644800 0.75 CA1 (0.56) CA1CA2ERN1TRIM24TRIM33

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed