SCHEMBL7327680

SCHEMBL7327680

CC(NC(=O)CCNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)CCC(=O)NC([C]=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.47
CTSD P07339 4/20 0.44
BACE1 P56817 2/20 0.40

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
SCHEMBL7330753 0.89 REN (0.49) RENCTSDBACE1
SCHEMBL7332756 0.88 REN (0.48) RENCTSDBACE1
SCHEMBL7324618 0.84 REN (0.50) RENCTSDBACE1
SCHEMBL7328982 0.84 CTSD (0.41) RENCTSD
SCHEMBL7323826 0.81 REN (0.46) RENCTSDBACE1
SCHEMBL7325341 0.80 CTSD (0.39) RENCTSDBACE1
SCHEMBL7329691 0.79 CTSD (0.47) RENCTSDBACE1
SCHEMBL7322162 0.78 CTSD (0.41) RENCTSD
SCHEMBL7325118 0.77 CTSD (0.50) RENCTSD
SCHEMBL7327920 0.77 CTSD (0.45) RENCTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed