SCHEMBL8236627

SCHEMBL8236627

CCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1)B(O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.44
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CMA1 P23946 10/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ELANE P08246 1/20 0.38

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
SCHEMBL8239838 0.87 F2 (0.46) F2MEN1KMT2ACMA1PRSS1
SCHEMBL12605461 0.84 F2 (0.44) F2CMA1PRSS1
SCHEMBL16329136 0.84 F2 (0.44) F2CMA1PRSS1
SCHEMBL12606101 0.81 CMA1 (0.40) F2CMA1PRSS1ELANE
SCHEMBL23832915 0.79 ACE (0.49) F2CMA1
SCHEMBL6077122 0.79 ACE (0.49) F2CMA1
SCHEMBL13399702 0.79 ACE (0.49) F2CMA1
SCHEMBL20681647 0.79 ACE (0.49) F2CMA1
SCHEMBL20681648 0.79 ACE (0.49) F2CMA1
SCHEMBL12606207 0.79 F2 (0.39) F2CMA1PRSS1

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
WO-2007089618-A2 HEPATITIS C SERINE PROTEASE INHIBITORS AND USES THEREFOR PHENOMIX CORPORATION (US) 2007-08-09 — — WO disclosed
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