SCHEMBL117967

SCHEMBL117967

CCC(CC)(Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)ccc2c1=O)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.58
HSD17B10 Q99714 4/20 0.58
RECQL P46063 4/20 0.58
TP53 P04637 3/20 0.58
CYP3A4 P08684 3/20 0.58
ALOX15 P16050 3/20 0.58
MAPK1 P28482 3/20 0.58
CDK5 Q00535 2/20 0.58
CDK5R1 Q15078 2/20 0.58
APEX1 P27695 2/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
CASP1 P29466 2/20 0.58
CASP7 P55210 2/20 0.58
APP P05067 2/20 0.58
CYP2C9 P11712 2/20 0.58

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
SCHEMBL116493 0.84 MEN1 (0.67) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL10860655 0.82 POLH (0.75) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL4286345 0.82 MEN1 (0.65) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL119937 0.82 MEN1 (0.61) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL34716 0.81 KDM4E (0.73) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL29512814 0.81 KDM4E (0.73) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL13056273 0.81 POLH (0.58) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL13056267 0.80 POLH (0.59) MEN1KMT2AKDM4EMAPTHSD17B10
SCHEMBL7685645 0.78 POLH (0.75) MEN1KMT2AKDM4EMAPTHSD17B10
Fisetin SCHEMBL4466733 0.77 MEN1 (0.90) MEN1KMT2AKDM4EMAPTHSD17B10

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