SCHEMBL1802005

SCHEMBL1802005

O=C(CCCOc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1)NC1=NCCCN1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.59
ITGA2B P08514 18/20 0.59
ITGAV P06756 5/20 0.59
HDAC8 Q9BY41 1/20 0.47

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
Hydrochloric Acid SCHEMBL7414512 0.99 ITGB3 (0.58) ITGB3ITGA2BITGAVHDAC8
Acetic Acid SCHEMBL7698650 0.98 ITGB3 (0.57) ITGB3ITGA2BITGAVHDAC8
SCHEMBL7406396 0.95 ITGB3 (0.60) ITGB3ITGA2BITGAVHDAC8
SCHEMBL7698652 0.91 ITGB3 (0.52) ITGB3ITGA2BITGAVHDAC8
SCHEMBL7217041 0.88 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7216195 0.88 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL7416204 0.85 ITGB3 (0.53) ITGB3ITGA2BITGAV
SCHEMBL4835350 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL4918524 0.84 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL6869118 0.83 ITGB3 (0.59) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110104268-A1 GALENIC APPLICATIONS OF SELF-EMULSIFYING MIXTURES OF LIPIDIC EXCIPIENTS AVENTIS PHARMA S.A. (FR) 2011-05-05 US claimed
US-20080193519-A1 Galenic Applications of Self-Emulsifying Mixtures of Lipidic Excipients AVENTIS PHARMA S.A. (FR) 2008-08-14 US claimed
US-6492356-B1 Acylguanidine derivatives as inhibitors of bone resorption and as vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-10 US claimed
EP-1042301-B1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2002-11-20 EP claimed
EP-1042301-A1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP claimed
EP-0933367-A1 Novel acylguanidine derivates as inhibitors of bone resorption and as vitronectin receptor antagonists Hoechst Marion Roussel Deutschland GmbH (DE) 1999-08-04 EP claimed
WO-1999032457-A1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-01 WO claimed
US-20110104268-A1 GALENIC APPLICATIONS OF SELF-EMULSIFYING MIXTURES OF LIPIDIC EXCIPIENTS AVENTIS PHARMA S.A. (FR) 2011-05-05 US disclosed
US-20080193519-A1 Galenic Applications of Self-Emulsifying Mixtures of Lipidic Excipients AVENTIS PHARMA S.A. (FR) 2008-08-14 US disclosed
US-6492356-B1 Acylguanidine derivatives as inhibitors of bone resorption and as vitronectin receptor antagonists AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-12-10 US disclosed
EP-1042301-B1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA GMBH (DE) 2002-11-20 EP disclosed
EP-1042301-A1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
EP-0933367-A1 Novel acylguanidine derivates as inhibitors of bone resorption and as vitronectin receptor antagonists Hoechst Marion Roussel Deutschland GmbH (DE) 1999-08-04 EP disclosed
WO-1999032457-A1 NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-01 WO disclosed