SCHEMBL7401346

SCHEMBL7401346

CC(C)(C)OC(=O)C(CNC(=O)c1ccc(OCCOC2CCN(C(=O)OC(C)(C)C)CC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.53
ITGA2B P08514 14/20 0.53
ITGAV P06756 2/20 0.48
MMP13 P45452 2/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
GPR119 Q8TDV5 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL7486439 0.80 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL7493829 0.79 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7486656 0.79 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL8459092 0.78 ITGAV (0.56) ITGB3ITGA2BITGAV
SCHEMBL7399462 0.77 ITGB3 (0.79) ITGB3ITGA2BITGAV
SCHEMBL8348648 0.77 ITGB3 (0.52) ITGB3ITGA2BITGAVMMP13KDM4E
SCHEMBL16385073 0.77 ITGB3 (0.59) ITGB3ITGA2BITGAVMMP13GPR119
SCHEMBL8903718 0.76 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7490103 0.76 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL7401949 0.76 GPR119 (0.54) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed