SCHEMBL8334047

SCHEMBL8334047

CC(C)C[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(N)=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 4/20 0.49
EPHA2 P29317 2/20 0.47
CTSD P07339 6/20 0.47
CTSE P14091 6/20 0.47
BACE1 P56817 3/20 0.47
CMA1 P23946 1/20 0.46
REN P00797 2/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
NMUR2 Q9GZQ4 1/20 0.44

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
SCHEMBL5208748 0.93 CTSD (0.49) CALCRLCTSDCTSEBACE1CMA1
SCHEMBL2045662 0.91 REN (0.54) CTSDCTSEBACE1RENNMUR2
SCHEMBL7419554 0.91 REN (0.54) CTSDCTSEBACE1RENNMUR2
SCHEMBL8060131 0.84 ACE (0.56) RENNMUR2
SCHEMBL7411063 0.84 ACE (0.56) RENNMUR2
SCHEMBL1223367 0.82 ITGB1 (0.64) ITGB1ITGA4
SCHEMBL13035172 0.82 ITGB1 (0.63) ITGB1ITGA4
SCHEMBL7201362 0.81 ITGB1 (0.43) CALCRLEPHA2CTSDCTSEBACE1
SCHEMBL6374240 0.80 OPRM1 (0.52) CALCRL
SCHEMBL26315176 0.78 SLC6A2 (0.61) CALCRLEPHA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737204-A4 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORP (US) 1999-06-23 EP disclosed
EP-0737204-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1996-10-16 EP disclosed
WO-1995015973-A1 CS-1 PEPTIDOMIMETICS, COMPOSITIONS AND METHODS OF USING THE SAME CYTEL CORPORATION (US) 1995-06-15 WO disclosed