SCHEMBL4644493

SCHEMBL4644493

CC(C)OC(=O)c1ccc(OC(=O)CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 3/20 0.45
ESR1 P03372 2/20 0.45
HIF1A Q16665 2/20 0.45

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
SCHEMBL4645749 0.87 CYP4F2 (0.58) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL4642589 0.85 CA12 (0.54) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL4644300 0.85 CA12 (0.54) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL4645898 0.84 CYP4A11 (0.55) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL4641668 0.83 CYP4F2 (0.54) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL4644456 0.83 CA12 (0.51) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL4647496 0.83 CA12 (0.51) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL4646071 0.81 CA12 (0.50) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL4641936 0.81 CA12 (0.61) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL1931290 0.81 CA1 (0.60) 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