SCHEMBL5817030

SCHEMBL5817030

CC(=O)OC1=C(C)C(=O)c2c(OC(C)=O)ccc(OC(C)=O)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 2/20 0.42
TTR P02766 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
ABCC4 O15439 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CHRM2 P08172 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 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
SCHEMBL5822019 0.83 KDM4E (0.58) PIM1ALDH1A1KDM4ELMNAHPGD
SCHEMBL29551111 0.79 MAPT (0.60) PIM1ALDH1A1KDM4ELMNAHPGD
SCHEMBL497339 0.79 MAPT (0.60) PIM1ALDH1A1KDM4ELMNAHPGD
SCHEMBL1287133 0.77 KDM4E (0.59) PIM1ALDH1A1KDM4ELMNAHPGD
SCHEMBL30444670 0.77 KDM4E (0.59) PIM1ALDH1A1KDM4ELMNAHPGD
SCHEMBL2432747 0.75 PIM1 (0.53) PIM1ALDH1A1KDM4ELMNAHPGD
SCHEMBL23938881 0.74 FGFR1 (0.43) ALDH1A1KDM4ELMNAHPGDTTR
SCHEMBL686744 0.73 CDC25B (0.59) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL13183079 0.73 MAPT (0.61) PIM1ALDH1A1KDM4ELMNAHPGD
SCHEMBL10378556 0.72 PIM1 (0.82) PIM1ALDH1A1KDM4ELMNAHPGD

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