SCHEMBL7329206

SCHEMBL7329206

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 8/20 0.42
CTSK P43235 8/20 0.42
SIRT2 Q8IXJ6 3/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SOAT1 P35610 2/20 0.36
CERT1 Q9Y5P4 3/20 0.35
CAPN1 P07384 1/20 0.34
CAPN2 P17655 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
SCHEMBL7331046 0.84 CTSD (0.33) SOAT1CERT1
SCHEMBL7331320 0.83 CTSB (0.40) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7319638 0.83 CTSK (0.46) CTSBCTSKCAPN1CAPN2
SCHEMBL7327305 0.81 CTSB (0.40) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7332552 0.79 CTSD (0.34) SOAT1CERT1
SCHEMBL7323322 0.78 LPAR1 (0.35)
SCHEMBL7326622 0.78 CTSB (0.41) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7329554 0.78 SIRT2 (0.35) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7329784 0.78 CTSB (0.42) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7328933 0.77 SOAT1 (0.37) SIRT2SIRT1SIRT3SOAT1CAPN1

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