SCHEMBL116493

SCHEMBL116493

CCC(CC)(Oc1cc(-c2oc3cc(O)ccc3c(=O)c2O)ccc1O)P(=O)(O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.67
▸ KMT2A Q03164 10/20 0.67
▸ MAPT P10636 10/20 0.67
▸ TP53 P04637 8/20 0.67
▸ KDM4E B2RXH2 8/20 0.67
▸ CYP3A4 P08684 8/20 0.67
▸ HSD17B10 Q99714 8/20 0.67
▸ CASP1 P29466 6/20 0.67
▸ CASP7 P55210 6/20 0.67
▸ ALDH1A1 P00352 5/20 0.67
▸ HPGD P15428 5/20 0.67
▸ MAPK1 P28482 4/20 0.67
▸ ALOX15 P16050 4/20 0.67
▸ LMNA P02545 3/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ CYP2C9 P11712 4/20 0.61
▸ RECQL P46063 3/20 0.61
▸ CDK5 Q00535 2/20 0.61
▸ CDK5R1 Q15078 2/20 0.61
▸ XDH P47989 2/20 0.61

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
SCHEMBL117967 0.84 MEN1 (0.58) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL119655 0.82 MEN1 (0.73) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL3715897 0.81 MEN1 (0.69) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL119654 0.81 MEN1 (0.74) MEN1KMT2AMAPTTP53KDM4E
Geraldol SCHEMBL29394734 0.81 MEN1 (1.00) MEN1KMT2AMAPTTP53KDM4E
Geraldol SCHEMBL31122383 0.81 MEN1 (1.00) MEN1KMT2AMAPTTP53KDM4E
Geraldol SCHEMBL620712 0.81 MEN1 (1.00) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL3718644 0.81 MEN1 (0.71) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL13056269 0.80 MAPT (0.64) MEN1KMT2AMAPTTP53KDM4E
Fisetin SCHEMBL4466733 0.80 MEN1 (0.90) MEN1KMT2AMAPTTP53KDM4E

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
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