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SCHEMBL6976765

SCHEMBL6976765

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)c1cc(C)oc1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 2/20 0.39
▸ MAX P61244 2/20 0.39
▸ TGFBR1 P36897 9/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.37
▸ MMP13 P45452 5/20 0.37

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
SCHEMBL6966272 0.88 MYC (0.42) MYCMAXTGFBR1KDM4EPKM
SCHEMBL7951214 0.88 TGFBR1 (0.44) TGFBR1KDM4EPKMGPR119MMP13
SCHEMBL6964258 0.87 MMP13 (0.50) MYCMAXTGFBR1KDM4EPKM
SCHEMBL6976930 0.87 TGFBR1 (0.45) TGFBR1MMP13
SCHEMBL6964185 0.87 GPR119 (0.48) GPR119MMP13
SCHEMBL6977003 0.86 LMNA (0.40) MYCMAXKDM4EPKMGPR119
SCHEMBL6978000 0.86 MMP13 (0.56) MYCMAXTGFBR1KDM4EPKM
SCHEMBL6963385 0.86 STS (0.46) MYCMAXKDM4EPKMGPR119
SCHEMBL6968993 0.86 MMP13 (0.50) TGFBR1KDM4EPKMGPR119MMP13
SCHEMBL6962633 0.86 MMP13 (0.49) TGFBR1KDM4EPKMGPR119MMP13

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