SCHEMBL176175

SCHEMBL176175

CCC(CC)(Oc1ccc(-c2oc3cc(OCc4ccccc4)cc(O)c3c(=O)c2OCc2ccccc2)cc1)OP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.58
PPARG P37231 1/20 0.51
ACE2 Q9BYF1 2/20 0.49
ABCB1 P08183 2/20 0.46
MAPT P10636 1/20 0.46
POLH Q9Y253 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
POLB P06746 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42

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
SCHEMBL174699 0.90 ADORA3 (0.60) ADORA3PPARGACE2ABCB1MAPT
SCHEMBL3811896 0.85 ADORA3 (0.57) ADORA3PPARGACE2ABCB1MAPT
SCHEMBL3757171 0.83 ADORA3 (0.59) ADORA3PPARGACE2ABCB1MAPT
SCHEMBL117535 0.82 ADORA3 (0.69) ADORA3PPARGACE2ABCB1MAPT
SCHEMBL31031138 0.82 ADORA3 (0.75) ADORA3PPARGACE2ABCB1MAPT
SCHEMBL118463 0.82 ACE2 (0.58) ADORA3PPARGACE2ABCB1MAPT
SCHEMBL13056300 0.81 ADORA3 (0.62) ADORA3PPARGACE2ABCB1MAPT
SCHEMBL176174 0.80 ADORA3 (0.61) ADORA3PPARGACE2ABCB1MAPT
SCHEMBL1421560 0.77 ACE2 (0.69) ADORA3PPARGACE2ABCB1MAPT
SCHEMBL118391 0.77 ADORA3 (0.61) ADORA3PPARGACE2ABCB1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424541-A2 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT Limerick BioPharma, Inc. (US) 2012-03-07 EP disclosed