SCHEMBL7324481

SCHEMBL7324481

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.36
CAPN2 P17655 1/20 0.36
SIRT2 Q8IXJ6 5/20 0.35
SOAT1 P35610 2/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
SIRT1 Q96EB6 3/20 0.33
CTSK P43235 1/20 0.33
PSMB5 P28074 1/20 0.33

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
SCHEMBL7330215 0.89 CTSL (0.41) CAPN1CAPN2SIRT2CTSLCTSS
SCHEMBL7323250 0.88 SOAT1 (0.37) CAPN1CAPN2SIRT2SOAT1CTSL
SCHEMBL7327305 0.85 CTSB (0.40) CAPN1CAPN2SIRT2SOAT1SIRT1
SCHEMBL7330327 0.84 SOAT1 (0.32) SOAT1PSMB5
SCHEMBL7331320 0.76 CTSB (0.40) CAPN1CAPN2SIRT2SOAT1SIRT1
SCHEMBL7328933 0.76 SOAT1 (0.37) CAPN1CAPN2SIRT2SOAT1CTSL
SCHEMBL7329784 0.75 CTSB (0.42) CAPN1CAPN2SIRT2CTSLCTSS
SCHEMBL7329917 0.74 SIRT2 (0.35) SIRT2CTSLCTSS
SCHEMBL7332523 0.73 SOAT1 (0.33) SIRT2SOAT1PSMB5
SCHEMBL7329206 0.72 CTSB (0.42) CAPN1CAPN2SIRT2SOAT1SIRT1

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