SCHEMBL4644375

SCHEMBL4644375

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
MAPT P10636 5/20 0.43
LMNA P02545 3/20 0.43
MDM2 Q00987 2/20 0.43
ESR1 P03372 4/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
ESR2 Q92731 2/20 0.40
MAOB P27338 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL4644363 1.00 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4644867 1.00 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4643324 0.90 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL4641952 0.89 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4641963 0.89 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4643307 0.89 TDP1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4643299 0.89 TDP1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4644857 0.89 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4643900 0.89 TDP1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL4645123 0.88 MAOB (0.40) 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