SCHEMBL118351

SCHEMBL118351

CCC(CC)(Oc1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2ccccc2c1=O)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ABCG2 Q9UNQ0 6/20 0.47
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ACE2 Q9BYF1 2/20 0.43
GAA P10253 2/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL117685 0.86 ACE2 (0.44) MAPTTP53RXFP1ABCG2KDM4E
SCHEMBL3723524 0.84 TP53 (0.53) MAPTTP53RXFP1ABCG2KDM4E
SCHEMBL16150328 0.83 TP53 (0.58) MAPTTP53RXFP1ABCG2KDM4E
SCHEMBL3724874 0.83 TP53 (0.52) MAPTTP53RXFP1ABCG2KDM4E
SCHEMBL4167435 0.82 ABCG2 (0.70) MAPTTP53RXFP1ABCG2KDM4E
SCHEMBL118463 0.82 ACE2 (0.58) MAPTABCG2ACE2PPARG
SCHEMBL4158838 0.81 TP53 (0.56) MAPTTP53RXFP1ABCG2KDM4E
SCHEMBL13056297 0.80 MAPT (0.54) MAPTTP53RXFP1ABCG2KDM4E
SCHEMBL4158840 0.80 TP53 (0.55) MAPTTP53RXFP1ABCG2KDM4E
SCHEMBL13056294 0.80 MAPT (0.53) MAPTTP53RXFP1ABCG2KDM4E

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