SCHEMBL7322813

SCHEMBL7322813

COC(=O)C(NC(=O)C(NC(=O)CCCCCCc1ccccc1)C(CO)CNC(=O)[C@H](C)N(C(=O)OCc1ccccc1)C(=O)[C@H](C)N)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSD P07339 6/20 0.37
CASP1 P29466 1/20 0.37
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL7332099 0.94 LNPEP (0.37) CTSDCASP1CA2CA5A
SCHEMBL7324031 0.89 CASP1 (0.38) CTSDCASP1
SCHEMBL7329312 0.88 CTSD (0.42) CTSDCASP1
SCHEMBL9754459 0.86 CTSD (0.34) CTSDCASP1CA2
SCHEMBL9296616 0.85 CA2 (0.34) CTSDCASP1CA2CA5A
SCHEMBL7331046 0.85 CTSD (0.33) CTSD
SCHEMBL7321477 0.84 CASP1 (0.46) CTSDCASP1
SCHEMBL7323322 0.84 LPAR1 (0.35)
SCHEMBL7319638 0.84 CTSK (0.46) CTSDCASP1CA2CA5A
SCHEMBL7327734 0.82 ALOX5 (0.32) CA2CA5A

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