SCHEMBL4643524

SCHEMBL4643524

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
ERN1 O75460 5/20 0.41
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
IAPP P10997 4/20 0.38
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 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
PTGDR2 Q9Y5Y4 1/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 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
SCHEMBL4642393 0.88 CA1 (0.57) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4643685 0.86 ERN1 (0.42) CA1CA2ERN1TLR2TLR1
SCHEMBL4643837 0.83 SRC (0.51) CA1CA2ERN1TLR2TLR1
SCHEMBL4647884 0.82 ALDH1A1 (0.42) CA1CA2ERN1TLR2TLR1
SCHEMBL4644793 0.80 CA1 (0.62) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4642014 0.79 PTGDR2 (0.49) ERN1TLR2TLR1TLR6PTGDR2
SCHEMBL4645689 0.77 CA1 (0.66) CA1CA2ERN1TRIM24TRIM33
SCHEMBL5343007 0.75 CA1 (0.64) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4647336 0.74 CA1 (0.57) CA1CA2ERN1TRIM24TRIM33
SCHEMBL4643846 0.74 GAA (0.43) CA1CA2ALDH1A1KDM4EGAA

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