SCHEMBL4644959

SCHEMBL4644959

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TPMT P51580 1/20 0.40
ERN1 O75460 1/20 0.40
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 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
SCHEMBL4644065 0.92 CYP3A4 (0.44) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4646840 0.88 CYP3A4 (0.45) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644328 0.87 CYP3A4 (0.44) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4645663 0.85 CYP3A4 (0.43) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644979 0.84 CYP3A4 (0.42) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4642294 0.83 CYP3A4 (0.46) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4641613 0.83 CYP3A4 (0.41) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4645284 0.83 CYP3A4 (0.41) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL28752225 0.82 CYP3A4 (0.45) CYP3A4USP2MAPK1SMN1; SMN2TPMT
SCHEMBL4644562 0.82 CYP3A4 (0.40) 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