SCHEMBL10058135

SCHEMBL10058135

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(C)=O)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS11D O60235 12/20 0.51
▸ ACE P12821 1/20 0.47
▸ F2 P00734 4/20 0.45
▸ F10 P00742 4/20 0.45
▸ PLG P00747 3/20 0.45
▸ KLK5 Q9Y337 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LTA4H P09960 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ PRSS2 P07478 1/20 0.43
▸ PRSS3 P35030 1/20 0.43
▸ FKBP1A P62942 1/20 0.43

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
SCHEMBL12968487 0.93 TMPRSS11D (0.53) TMPRSS11DACEF2F10PLG
SCHEMBL10058308 0.87 TMPRSS11D (0.52) TMPRSS11DACEF2F10PLG
SCHEMBL10058299 0.85 TMPRSS11D (0.47) TMPRSS11DACEF2F10PLG
SCHEMBL15139686 0.84 TMPRSS11D (0.50) TMPRSS11DACEF2F10PLG
SCHEMBL19390410 0.83 TMPRSS11D (0.50) TMPRSS11DACEF2F10PLG
SCHEMBL19390241 0.81 ACE (0.53) TMPRSS11DACELTA4H
SCHEMBL15251724 0.80 FKBP1A (0.52) TMPRSS11DACEF2F10PLG
SCHEMBL15251707 0.80 FKBP1A (0.52) TMPRSS11DACEF2F10PLG
SCHEMBL15251708 0.80 FKBP1A (0.52) TMPRSS11DACEF2F10PLG
SCHEMBL10059236 0.80 TMPRSS11D (0.60) TMPRSS11DACEF2F10PLG

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-2012083436-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-06-28 — — WO disclosed
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