SCHEMBL7319908

SCHEMBL7319908

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.37
CTSB P07858 2/20 0.36
CTSK P43235 2/20 0.36
SIRT2 Q8IXJ6 5/20 0.36
SIRT1 Q96EB6 2/20 0.36
SIRT3 Q9NTG7 2/20 0.36
TLR2 O60603 2/20 0.35
CAPN1 P07384 1/20 0.35
CAPN2 P17655 1/20 0.35
CTSD P07339 1/20 0.35
ELANE P08246 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
SCHEMBL7331504 0.92 SIRT2 (0.38) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7326622 0.91 CTSB (0.41) CTSBCTSKSIRT2SIRT1SIRT3
SCHEMBL7321181 0.91 SIRT2 (0.39) CTSKSIRT2SIRT1SIRT3TLR2
SCHEMBL7323628 0.87 SIRT2 (0.33) RENCTSBCTSKSIRT2SIRT1
SCHEMBL7323289 0.80 CTSL (0.41) CTSKSIRT2SIRT1SIRT3TLR2
SCHEMBL9296873 0.80 SIRT2 (0.40) CTSKSIRT2SIRT1SIRT3TLR2
SCHEMBL7323558 0.80 SIRT2 (0.33) SIRT2SIRT1SIRT3CAPN1CAPN2
SCHEMBL7333687 0.79 SIRT2 (0.32) RENCTSBCTSKSIRT2SIRT1
SCHEMBL7332120 0.79 SIRT2 (0.33) SIRT2SIRT1SIRT3TLR2CAPN1
SCHEMBL7329554 0.78 SIRT2 (0.35) CTSBCTSKSIRT2SIRT1SIRT3

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