SCHEMBL9699162

SCHEMBL9699162

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 13/20 0.58
PREP P48147 2/20 0.58
ACE P12821 1/20 0.51
CTRB1 P17538 1/20 0.51
CTSL P07711 1/20 0.51
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50
KLK5 Q9Y337 1/20 0.50

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
SCHEMBL9699156 1.00 CMA1 (0.58) CMA1PREPACECTRB1CTSL
SCHEMBL9699161 0.91 CMA1 (0.65) CMA1PREPACEF2PRSS1
SCHEMBL9699165 0.91 CMA1 (0.65) CMA1PREPACEF2PRSS1
SCHEMBL9700520 0.90 CMA1 (0.58) CMA1PREPACE
SCHEMBL9700519 0.90 CMA1 (0.58) CMA1PREPACE
SCHEMBL17282930 0.90 PREP (0.62) CMA1PREPACECTSLKLK5
SCHEMBL29535218 0.89 CTRB1 (0.58) CMA1PREPCTRB1
SCHEMBL9699149 0.89 PREP (0.61) CMA1PREPACECTSLKLK5
SCHEMBL10882017 0.89 PREP (0.61) CMA1PREPACECTSLKLK5
SCHEMBL28545846 0.89 PREP (0.61) CMA1PREPACECTSLKLK5

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-1992004370-A1 MODIFIED DI- AND TRIPEPTIDYL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-03-19 WO claimed