SCHEMBL2050052

SCHEMBL2050052

C[C@H]1c2cc(OCCCNc3cccc[n+]3[O-])ccc2CC(CC(=O)O)C(=O)N1CC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.52
ITGAV P06756 8/20 0.52
ITGA2B P08514 5/20 0.52
ITGB1 P05556 1/20 0.41
ITGB5 P18084 1/20 0.41
PPARD Q03181 5/20 0.35
ESR1 P03372 5/20 0.35
KCNH2 Q12809 4/20 0.35
PPARA Q07869 3/20 0.34
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL6419565 0.91 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2785184 0.85 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6418707 0.85 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2784510 0.85 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2043373 0.84 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6784359 0.82 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6423446 0.81 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6419388 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6788320 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL2050050 0.79 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGB5

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