SCHEMBL6969887

SCHEMBL6969887

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)c1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.49
F10 P00742 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
MMP13 P45452 5/20 0.42
MMP1 P03956 3/20 0.42
MMP3 P08254 3/20 0.42
MMP7 P09237 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP2 P08253 2/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
ITGAV P06756 1/20 0.40

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
SCHEMBL6976930 0.94 TGFBR1 (0.45) TGFBR1F10ST14MMP13F2
SCHEMBL6975339 0.94 MMP13 (0.44) TGFBR1F10ST14MMP13MMP1
SCHEMBL7951214 0.93 TGFBR1 (0.44) TGFBR1MMP13MMP1MMP3MMP7
SCHEMBL7943420 0.91 TGFBR1 (0.47) TGFBR1F2
SCHEMBL6976329 0.91 F2 (0.44) TGFBR1F10ST14MMP13F2
SCHEMBL7139133 0.90 TGFBR1 (0.42) TGFBR1F10ST14MMP13MMP1
SCHEMBL7951844 0.90 ALDH1A1 (0.44) TGFBR1MMP13
SCHEMBL6962633 0.89 MMP13 (0.49) TGFBR1MMP13MMP1MMP3MMP7
SCHEMBL6964258 0.89 MMP13 (0.50) TGFBR1MMP13MMP1MMP3MMP7
SCHEMBL6964185 0.89 GPR119 (0.48) MMP13MMP1MMP3MMP7MMP9

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