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SCHEMBL13435882

SCHEMBL13435882

CCOC(=O)[C@H]1C[C@H]1/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ ITGB3 P05106 9/20 0.40
▸ ITGA2B P08514 9/20 0.40
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CMA1 P23946 5/20 0.36
▸ CTRC Q99895 2/20 0.36
▸ ACE P12821 1/20 0.35

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
SCHEMBL8203250 0.92 F2 (0.41) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL13435877 0.91 F2 (0.43) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL6383995 0.88 ITGB3 (0.39) F2PRSS1ITGB3ITGA2BMEN1
SCHEMBL12831724 0.87 F2 (0.39) F2PRSS1ITGB3ITGA2BMEN1
SCHEMBL13436020 0.85 ITGB3 (0.40) F2PRSS1ITGB3ITGA2BMEN1
SCHEMBL6124816 0.82 F2 (0.44) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL7941871 0.81 HDAC1 (0.35) F2PRSS1ITGB3ITGA2BMEN1
SCHEMBL6124828 0.81 HDAC1 (0.35) F2PRSS1ITGB3ITGA2BMEN1
SCHEMBL13436021 0.81 F2 (0.43) F2PRSS1ITGB3ITGA2BCMA1
SCHEMBL12831782 0.80 ITGB3 (0.40) F2PRSS1ITGB3ITGA2BCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 — — EP disclosed