SCHEMBL4641506

SCHEMBL4641506

CCCC(OC(=O)C=CC(=O)OC)C(=O)Oc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
TYR P14679 1/20 0.42
AKR1B10 O60218 1/20 0.37
AKR1B1 P15121 1/20 0.37
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4643324 0.90 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL4641963 0.90 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4641952 0.90 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4644857 0.90 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4642137 0.80 TAS1R3 (0.43) TAS1R3TAS1R1ALDH1A1KMT2ATDP1
SCHEMBL4644928 0.80 TAS1R3 (0.43) TAS1R3TAS1R1ALDH1A1KMT2ATDP1
SCHEMBL4642151 0.80 TAS1R3 (0.43) TAS1R3TAS1R1ALDH1A1KMT2ATDP1
SCHEMBL4644363 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4644867 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4644375 0.79 CA12 (0.51) CA12CA1CA2CA7CA9

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