SCHEMBL2045761

SCHEMBL2045761

COC(=O)CC1Cc2ccc(O)cc2CN(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
ITGAV P06756 1/20 0.46
BRD4 O60885 1/20 0.43
MIF P14174 4/20 0.39
MMP8 P22894 4/20 0.39
MMP3 P08254 2/20 0.39
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MDM2 Q00987 2/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.35
GLA P06280 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
NR1I2 O75469 1/20 0.35
GMNN O75496 1/20 0.35

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
SCHEMBL2050703 1.00 ITGB3 (0.46) ITGB3ITGA2BITGAVBRD4MIF
SCHEMBL2786598 0.86 ITGB3 (0.52) ITGB3ITGA2BITGAVMMP8MMP3
SCHEMBL2786534 0.86 ITGB3 (0.52) ITGB3ITGA2BITGAVMMP8MMP3
SCHEMBL12922971 0.86 MMP8 (0.38) ITGB3ITGA2BITGAVMIFMMP8
SCHEMBL12922965 0.86 MMP8 (0.38) ITGB3ITGA2BITGAVMIFMMP8
SCHEMBL4671293 0.82 ITGB3 (0.50) ITGB3ITGA2BITGAVMIFMMP8
SCHEMBL13688296 0.82 ITGB3 (0.50) ITGB3ITGA2BITGAVMIFMMP8
SCHEMBL12948918 0.82 ITGB3 (0.50) ITGB3ITGA2BITGAVMIFMMP8
SCHEMBL981045 0.82 ITGB3 (0.50) ITGB3ITGA2BITGAVMIFMMP8
SCHEMBL23082999 0.81 OPRM1 (0.36) ITGB3ITGA2BITGAVMIFMMP8

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