SCHEMBL7324618

SCHEMBL7324618

CC(NC(=O)C(C)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(O)CCC(=O)NC([C]=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.50
BACE1 P56817 3/20 0.47
CTSD P07339 3/20 0.46
CTSL P07711 4/20 0.43
CTSB P07858 4/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 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
SCHEMBL7332756 0.93 REN (0.48) RENBACE1CTSDCTSLCTSB
SCHEMBL7330753 0.92 REN (0.49) RENBACE1CTSDCTSLCTSB
SCHEMBL7354721 0.89 REN (0.56) RENBACE1CTSD
SCHEMBL7323060 0.89 REN (0.56) RENBACE1CTSD
SCHEMBL7328794 0.84 REN (0.48) RENBACE1CTSDCTSSCTSK
SCHEMBL7327680 0.84 REN (0.47) RENBACE1CTSD
SCHEMBL7327920 0.84 CTSD (0.45) RENBACE1CTSD
SCHEMBL7329691 0.82 CTSD (0.47) RENBACE1CTSD
SCHEMBL7328968 0.81 CTSD (0.54) RENBACE1CTSD
SCHEMBL7328076 0.80 CTSD (0.55) RENBACE1CTSD

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