SCHEMBL7330327

SCHEMBL7330327

CCCCCC(=O)NC([C]=O)C(CO)(CNC(=O)[C@H](C)N(C(=O)OCc1ccccc1-c1ccccc1)C(=O)[C@H](C)N)CC(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.32
PSMB5 P28074 2/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL7329917 0.90 SIRT2 (0.35)
SCHEMBL7332523 0.90 SOAT1 (0.33) SOAT1PSMB5
SCHEMBL7332898 0.86 CTSD (0.33)
SCHEMBL7324481 0.84 CAPN1 (0.36) SOAT1PSMB5
SCHEMBL7322416 0.79 CTSD (0.35) SOAT1
SCHEMBL7323074 0.78 SOAT1 (0.34) SOAT1PSMB5
SCHEMBL10376902 0.78 SOAT1 (0.34) SOAT1PSMB5
SCHEMBL7323662 0.78 CTSD (0.34)
SCHEMBL10378644 0.75 CTSD (0.35) SOAT1PSMB5
SCHEMBL7329823 0.75 CTSD (0.35) SOAT1PSMB5

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