SCHEMBL5808952

SCHEMBL5808952

COC1=C(OC(C)=O)C(=O)c2c(O)ccc(O)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.47
EGFR P00533 1/20 0.46
PREP P48147 2/20 0.45
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 6/20 0.42
MAOA P21397 2/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
POLB P06746 3/20 0.39
BLM P54132 3/20 0.39
CYP3A4 P08684 3/20 0.39
HPGD P15428 3/20 0.39
TP53 P04637 3/20 0.39
RAB9A P51151 2/20 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
SCHEMBL5821883 0.77 EGFR (0.51) PIM1EGFRMEN1KMT2AMAPT
SCHEMBL5807302 0.76 PDE4A (0.48) PIM1PREPMEN1KMT2AMAPT
SCHEMBL5816765 0.76 PDE4A (0.48) PIM1PREPMEN1KMT2AMAPT
SCHEMBL13183079 0.75 MAPT (0.61) PIM1EGFRMEN1KMT2AMAPT
SCHEMBL5811855 0.72 KDM4E (0.65) PIM1PREPMEN1KMT2AMAPT
SCHEMBL5821938 0.71 HTT (0.50) MEN1KMT2AMAPTPDE4DKDM4E
SCHEMBL11689685 0.71 EGFR (0.68) PIM1EGFRMEN1KMT2AMAPT
SCHEMBL5821557 0.70 PIM1 (0.54) PIM1EGFRPREPMEN1KMT2A
SCHEMBL11526641 0.70 PIM1 (0.69) PIM1EGFRMEN1KMT2AMAPT
SCHEMBL5817030 0.69 PIM1 (0.49) PIM1PREPMEN1KMT2AMAPT

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
WO-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 WO disclosed