SCHEMBL4646840

SCHEMBL4646840

[CH2]CC(=O)Oc1cc(OC)cc(O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TPMT P51580 1/20 0.41
ERN1 O75460 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
BACE1 P56817 1/20 0.39
HPGD P15428 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ABL1 P00519 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4644959 0.88 CYP3A4 (0.43) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4642294 0.86 CYP3A4 (0.46) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644065 0.85 CYP3A4 (0.44) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL28752225 0.84 CYP3A4 (0.45) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644328 0.83 CYP3A4 (0.44) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL27620029 0.82 CYP3A4 (0.49) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4641750 0.82 CYP3A4 (0.49) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4645663 0.82 CYP3A4 (0.43) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644979 0.81 CYP3A4 (0.42) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4641760 0.80 CYP3A4 (0.54) CYP3A4USP2MAPK1SMN1; SMN2TPMT

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