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Sugi Predict / Compounds / SCHEMBL6976930

SCHEMBL6976930

SCHEMBL6976930

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(C)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 17/20 0.45
▸ MMP13 P45452 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PLG P00747 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ ST14 Q9Y5Y6 1/20 0.40
▸ MAPT P10636 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
SCHEMBL7951214 0.94 TGFBR1 (0.44) TGFBR1MMP13
SCHEMBL6969887 0.94 TGFBR1 (0.49) TGFBR1MMP13F2F10PLG
SCHEMBL7943420 0.93 TGFBR1 (0.47) TGFBR1F2
SCHEMBL6964258 0.92 MMP13 (0.50) TGFBR1MMP13
SCHEMBL7951844 0.92 ALDH1A1 (0.44) TGFBR1MMP13
SCHEMBL6976329 0.91 F2 (0.44) TGFBR1MMP13F2F10PLG
SCHEMBL6962633 0.91 MMP13 (0.49) TGFBR1MMP13
SCHEMBL6964185 0.90 GPR119 (0.48) MMP13
SCHEMBL6973611 0.90 GAA (0.41) TGFBR1MMP13F2F10PLG
SCHEMBL6963385 0.90 STS (0.46) MMP13MAPT

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