SCHEMBL6490544

SCHEMBL6490544

COc1ccc(C[C@@H](CC(=O)O)c2cccc(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.50
PKM P14618 1/20 0.50
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
LDHA P00338 1/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45

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
SCHEMBL6490548 1.00 FFAR1 (0.50) FFAR1PKMMTNR1AMTNR1BALDH1A1
SCHEMBL27532652 0.86 F10 (0.45) FFAR1MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL6176524 0.85 PKM (0.60) FFAR1PKMALDH1A1LDHAFNTA
SCHEMBL6490642 0.84 MME (0.44) FFAR1ITGB3ITGAV
SCHEMBL6490651 0.84 MME (0.44) FFAR1ITGB3ITGAV
SCHEMBL27829876 0.80 ALDH1A1 (0.62) FFAR1PKMMTNR1AMTNR1BALDH1A1
SCHEMBL5857867 0.79 GABBR2 (0.50) FFAR1FNTAFNTBITGB3ITGAV
SCHEMBL7447623 0.78 ALDH1A1 (0.46) FFAR1ALDH1A1LMNAGAAFNTA
SCHEMBL6491361 0.78 ITGB3 (0.60) FFAR1PKMGAALDHAFNTA
SCHEMBL6491359 0.78 ITGB3 (0.60) FFAR1PKMGAALDHAFNTA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed