SCHEMBL8239838

SCHEMBL8239838

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.46
▸ ELANE P08246 5/20 0.42
▸ CMA1 P23946 10/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PRSS1 P07477 1/20 0.39

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
SCHEMBL8236627 0.87 F2 (0.44) F2ELANECMA1MEN1KMT2A
SCHEMBL806061 0.81 ELANE (0.45) ELANECMA1
SCHEMBL14639776 0.81 NR1I2 (0.52) —
SCHEMBL26121717 0.79 ACE (0.51) F2ELANECMA1
SCHEMBL159043 0.79 ACE (0.51) F2ELANECMA1
SCHEMBL806133 0.79 ACE (0.51) F2ELANECMA1
SCHEMBL1300341 0.79 ACE (0.51) F2ELANECMA1
SCHEMBL10141143 0.78 CMA1 (0.41) F2CMA1PRSS1
SCHEMBL8046113 0.78 KLK5 (0.51) ELANECMA1
SCHEMBL8055611 0.78 ELANE (0.42) F2ELANECMA1PRSS1

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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