SCHEMBL4646838

SCHEMBL4646838

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ERN1 O75460 1/20 0.46
TPMT P51580 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NFKB1 P19838 1/20 0.40
DPP4 P27487 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APP P05067 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
SCHEMBL4644955 0.83 CYP3A4 (0.43) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL4641760 0.81 CYP3A4 (0.54) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL4644060 0.81 CYP3A4 (0.41) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL4641750 0.80 CYP3A4 (0.49) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL27620029 0.80 CYP3A4 (0.49) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL4642294 0.77 CYP3A4 (0.46) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL1402215 0.77 CYP3A4 (0.60) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL28752225 0.76 CYP3A4 (0.45) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL4646840 0.76 CYP3A4 (0.45) CYP3A4MAPK1USP2SMN1; SMN2ERN1
SCHEMBL4644328 0.75 CYP3A4 (0.44) CYP3A4MAPK1USP2SMN1; SMN2ERN1

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