SCHEMBL4644060

SCHEMBL4644060

CCC[CH]C(=O)Oc1cc(OC)cc(O)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ERN1 O75460 1/20 0.41
TPMT P51580 1/20 0.38
HPGD P15428 1/20 0.38
ABCG2 Q9UNQ0 3/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NFKB1 P19838 1/20 0.36
DPP4 P27487 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PTGES O14684 1/20 0.36
BACE1 P56817 1/20 0.35
PTPN1 P18031 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL4644955 0.89 CYP3A4 (0.43) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL4646838 0.81 CYP3A4 (0.46) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL4641754 0.77 CA12 (0.49) SMN1; SMN2ABCG2LMNATDP1NFKB1
SCHEMBL4641760 0.76 CYP3A4 (0.54) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL4645454 0.75 TDP1 (0.40) HPGDABCG2LMNATDP1MAPT
SCHEMBL4642294 0.75 CYP3A4 (0.46) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL4641750 0.74 CYP3A4 (0.49) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL27620029 0.74 CYP3A4 (0.49) CYP3A4USP2MAPK1SMN1; SMN2ERN1
SCHEMBL4643737 0.74 MEN1 (0.44) CYP3A4TDP1PTGESBACE1PTPN1
SCHEMBL4642186 0.74 THRB (0.45) SMN1; SMN2LMNACYP2C19KMT2A

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