SCHEMBL7363023

SCHEMBL7363023

COC(=O)COc1ccc(C(=O)CN(C)C(=O)OC(C)(C)C)cc1OCC(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HMGCR P04035 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
APP P05067 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
HTT P42858 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
SCHEMBL7798164 0.88 ITGB3 (0.61) ITGB3ITGA2BKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7798200 0.87 ITGB3 (0.60) ITGB3ITGA2BKMT2AMEN1POLB
SCHEMBL7368949 0.80 ITGB3 (0.50) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL7363019 0.79 KMT2A (0.45) ITGB3ITGA2BKMT2AMEN1LMNA
SCHEMBL7358969 0.76 KMT2A (0.67) KMT2AMEN1LMNACYP1A2ALDH1A1
SCHEMBL7366149 0.75 CA12 (0.42) KMT2AMEN1POLBL3MBTL1KDM4E
SCHEMBL7407172 0.74 KMT2A (0.50) ITGB3ITGA2BKMT2AMEN1LMNA
SCHEMBL8009746 0.74 ITGB3 (0.45) ITGB3ITGA2BKMT2AMEN1LMNA
SCHEMBL8012315 0.74 ITGB3 (0.52) ITGB3ITGA2BKMT2AMEN1LMNA
SCHEMBL4852890 0.74 APP (0.44) KMT2AMEN1LMNACYP1A2ALDH1A1

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
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed