SCHEMBL7328076

SCHEMBL7328076

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSD P07339 7/20 0.55
REN P00797 5/20 0.55
ECE1 P42892 2/20 0.51
MME P08473 1/20 0.51
BACE1 P56817 2/20 0.50
KLK5 Q9Y337 1/20 0.49

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
SCHEMBL7328082 1.00 CTSD (0.55) CTSDRENECE1MMEBACE1
SCHEMBL7328968 0.99 CTSD (0.54) CTSDRENECE1MMEBACE1
SCHEMBL7320103 0.97 CTSD (0.59) CTSDRENECE1MME
SCHEMBL7332555 0.96 CTSD (0.58) CTSDRENECE1MMEBACE1
SCHEMBL7332534 0.91 CTSD (0.54) CTSDRENBACE1
SCHEMBL7329209 0.91 CTSD (0.64) CTSDRENBACE1KLK5
SCHEMBL7331052 0.90 CTSD (0.63) CTSDRENBACE1KLK5
SCHEMBL7324774 0.88 CTSD (0.61) CTSDRENBACE1
SCHEMBL7330753 0.87 REN (0.49) CTSDRENBACE1
SCHEMBL7332756 0.86 REN (0.48) CTSDRENBACE1

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