SCHEMBL7335472

SCHEMBL7335472

C[C@@H]1CCN(C(=O)[C@H](CCC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)[C@@H](C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.49
CTSL P07711 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CMA1 P23946 4/20 0.46
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
CTRC Q99895 2/20 0.43
PPARA Q07869 1/20 0.43
CCKBR P32239 2/20 0.42

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
SCHEMBL7352624 0.87 PPARA (0.56) ACECTSLCMA1KLK7KLK5
SCHEMBL1815101 0.84 ACE (0.55) ACECTSLITGB3ITGA2BCMA1
SCHEMBL7335071 0.83 AGTR2 (0.42) ACECTSLCMA1
SCHEMBL29131321 0.80 ACE (0.65) ACECTSLCMA1KLK7KLK5
SCHEMBL29131320 0.80 ACE (0.65) ACECTSLCMA1KLK7KLK5
SCHEMBL7533944 0.80 ACE (0.65) ACECTSLCMA1KLK7KLK5
SCHEMBL20701384 0.80 KLK7 (0.44) ACECTSLITGB3ITGA2BCMA1
SCHEMBL21619214 0.80 KLK7 (0.44) ACECTSLITGB3ITGA2BCMA1
SCHEMBL20701381 0.80 KLK7 (0.44) ACECTSLITGB3ITGA2BCMA1
SCHEMBL21619213 0.80 KLK7 (0.44) ACECTSLITGB3ITGA2BCMA1

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
US-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed