SCHEMBL2045111

SCHEMBL2045111

COC(=O)C[C@H]1Cc2ccc(O)cc2CNC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GLA P06280 3/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 2/20 0.36
NPC1 O15118 1/20 0.36
NR1I2 O75469 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2048374 1.00 MIF (0.40) MIFITGB3ITGA2BHDAC6GLA
SCHEMBL2046083 1.00 MIF (0.40) MIFITGB3ITGA2BHDAC6GLA
SCHEMBL2784278 0.84 ITGB3 (0.47) ITGB3ITGA2BGLAGAAMEN1
SCHEMBL2784223 0.84 ITGB3 (0.47) ITGB3ITGA2BGLAGAAMEN1
SCHEMBL2786680 0.84 ITGB3 (0.47) ITGB3ITGA2BGLAGAAMEN1
SCHEMBL7073390 0.81 GAA (0.42) MIFHDAC6GLAGAAMEN1
SCHEMBL7057160 0.78 ITGB3 (0.40) ITGB3ITGA2BGLAGAAMEN1
SCHEMBL13048335 0.77 MIF (0.46) MIFHDAC6GLAGAAMEN1
SCHEMBL3411923 0.77 MIF (0.46) MIFHDAC6GLAGAAMEN1
SCHEMBL3413462 0.77 MIF (0.46) MIFHDAC6GLAGAAMEN1

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-2329821-A1 Treatment of ocular neovascular disorders such as macular degeneration, angiod streaks, uveitis and macular edema GlaxoSmithKline LLC (US) 2011-06-08 EP disclosed