SCHEMBL6962633

SCHEMBL6962633

CCOC(=O)[C@H](CNC(=O)CNC(=O)C(CCC1CCN(C(=O)O)CC1)CCC1CCN(C(=O)OC(C)(C)C)CC1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 0.49
MMP1 P03956 6/20 0.46
MMP3 P08254 5/20 0.46
MMP9 P14780 5/20 0.46
MMP8 P22894 5/20 0.46
MMP2 P08253 5/20 0.46
MMP7 P09237 4/20 0.46
LIMK2 P53671 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
TGFBR1 P36897 3/20 0.41

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
SCHEMBL7951214 0.96 TGFBR1 (0.44) MMP13MMP1MMP3MMP9MMP8
SCHEMBL6964258 0.94 MMP13 (0.50) MMP13MMP1MMP3MMP9MMP8
SCHEMBL6964185 0.94 GPR119 (0.48) MMP13MMP1MMP3MMP9MMP8
SCHEMBL6968993 0.93 MMP13 (0.50) MMP13MMP1MMP3MMP9MMP8
SCHEMBL6963385 0.93 STS (0.46) MMP13MMP1MMP3MMP9MMP8
SCHEMBL6974078 0.92 TGFBR1 (0.46) MMP13MMP1MMP3MMP9MMP8
SCHEMBL6976038 0.92 TGFBR1 (0.48) MMP13MMP1MMP3MMP9MMP8
SCHEMBL6976329 0.92 F2 (0.44) MMP13GPR119KDM4EITGB3ITGA2B
SCHEMBL6968735 0.92 ITGB3 (0.45) MMP13MMP1MMP3MMP9MMP8
SCHEMBL6976930 0.91 TGFBR1 (0.45) MMP13TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098878-B1 BISPIPERIDINES AS ANTITHROMBOTIC AGENTS CEPHALON FRANCE (FR) 2003-12-17 EP disclosed
US-6333338-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS LABORATOIRE L. LAFON (FR) 2001-12-25 US disclosed