SCHEMBL7348789

SCHEMBL7348789

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
KLK5 Q9Y337 1/20 0.55
REN P00797 1/20 0.55
CMA1 P23946 12/20 0.54
F2 P00734 2/20 0.54
PRSS1 P07477 1/20 0.53
ACE P12821 1/20 0.53
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51

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
SCHEMBL7348799 1.00 MAPK1 (0.55) MAPK1KLK5RENCMA1F2
SCHEMBL7352303 0.94 F2 (0.59) KLK5RENCMA1F2PRSS1
SCHEMBL7352316 0.94 F2 (0.59) KLK5RENCMA1F2PRSS1
SCHEMBL7354569 0.91 KLK5 (0.59) KLK5RENCMA1F2PRSS1
SCHEMBL7354560 0.91 KLK5 (0.59) KLK5RENCMA1F2PRSS1
SCHEMBL7348910 0.89 CMA1 (0.65) KLK5CMA1F2
SCHEMBL7348917 0.89 CMA1 (0.65) KLK5CMA1F2
SCHEMBL7356585 0.86 CMA1 (0.56) MAPK1RENCMA1F2PRSS1
SCHEMBL7354216 0.86 KLK5 (0.51) KLK5RENCMA1F2PRSS1
SCHEMBL7354222 0.86 KLK5 (0.51) KLK5RENCMA1F2PRSS1

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-1993025574-A1 INHIBITORS OF ANGIOTENSIN I CHYMASE(S) INCLUDING HUMAN HEART CHYMASE PFIZER INC. (US) 1993-12-23 WO disclosed