SCHEMBL2045113

SCHEMBL2045113

C[C@H]1NC(=O)C(CC(=O)O)Cc2ccc(O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
OPRK1 P41145 4/20 0.40
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
OPRD1 P41143 2/20 0.36
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
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
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 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
SCHEMBL2048375 1.00 OPRM1 (0.40) OPRM1OPRK1ITGB3ITGA2BOPRD1
SCHEMBL2046087 1.00 OPRM1 (0.40) OPRM1OPRK1ITGB3ITGA2BOPRD1
SCHEMBL3408615 0.80 ESR1 (0.45) OPRM1OPRK1OPRD1NQO2MTNR1A
SCHEMBL4621828 0.77 ESR2 (0.43) OPRM1OPRK1ITGB3ITGA2BMEN1
SCHEMBL2784278 0.76 ITGB3 (0.47) OPRM1OPRK1ITGB3ITGA2BMEN1
SCHEMBL2784223 0.76 ITGB3 (0.47) OPRM1OPRK1ITGB3ITGA2BMEN1
SCHEMBL2786680 0.76 ITGB3 (0.47) OPRM1OPRK1ITGB3ITGA2BMEN1
SCHEMBL2050706 0.75 OPRM1 (0.43) OPRM1OPRK1ITGB3ITGA2BOPRD1
SCHEMBL2045762 0.75 OPRM1 (0.43) OPRM1OPRK1ITGB3ITGA2BOPRD1
SCHEMBL6787868 0.72 ITGB3 (0.66) ITGB3ITGA2BITGB1ITGAVITGA5

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