SCHEMBL7329784

SCHEMBL7329784

CCCCCC(=O)NC(C(=O)NC(C(=O)OC)C(C)C)C(CO)(CNC(=O)[C@H](C)NC(=O)OCc1ccccc1)Cc1ccccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.42
CTSK P43235 6/20 0.42
SIRT2 Q8IXJ6 6/20 0.40
SIRT1 Q96EB6 4/20 0.40
SIRT3 Q9NTG7 1/20 0.40
REN P00797 2/20 0.39
CAPN1 P07384 1/20 0.38
CAPN2 P17655 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSD P07339 1/20 0.37

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
SCHEMBL7327305 0.90 CTSB (0.40) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7331320 0.86 CTSB (0.40) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7323662 0.86 CTSD (0.34) SIRT2SIRT1SIRT3CTSD
SCHEMBL7330215 0.85 CTSL (0.41) CTSKSIRT2SIRT1SIRT3CAPN1
SCHEMBL7326622 0.80 CTSB (0.41) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7329206 0.78 CTSB (0.42) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7332898 0.76 CTSD (0.33) CTSD
SCHEMBL7324481 0.75 CAPN1 (0.36) CTSKSIRT2SIRT1CAPN1CAPN2
SCHEMBL7331504 0.74 SIRT2 (0.38) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL9296873 0.73 SIRT2 (0.40) CTSKSIRT2SIRT1SIRT3CAPN1

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