SCHEMBL7300335

SCHEMBL7300335

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCCN)cc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.76
ITGA2B P08514 15/20 0.76
PTPN1 P18031 3/20 0.56
ACE P12821 1/20 0.55
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL6998950 0.91 ITGB3 (0.79) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL6685168 0.91 ITGB3 (0.79) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL18764418 0.89 ITGB3 (0.78) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL23302994 0.88 ITGB3 (0.76) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL23302993 0.88 ITGB3 (0.76) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL7330647 0.87 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACE
SCHEMBL7291406 0.87 ITGB3 (0.82) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL7335757 0.87 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACE
SCHEMBL13367280 0.87 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACEHDAC8
SCHEMBL14937759 0.87 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACEHDAC8

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-0478328-B1 Novel fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-10 EP claimed
EP-0478328-B1 Novel fibrinogen receptor antagonists MERCK & CO INC (US) 1996-01-10 EP disclosed
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 EP disclosed
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed