SCHEMBL7331504

SCHEMBL7331504

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.38
SIRT1 Q96EB6 6/20 0.38
CAPN1 P07384 1/20 0.38
CAPN2 P17655 1/20 0.38
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
CTSB P07858 3/20 0.36
CTSK P43235 3/20 0.36
SIRT3 Q9NTG7 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ECE1 P42892 2/20 0.36
MME P08473 1/20 0.36
TLR2 O60603 1/20 0.35

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
SCHEMBL7326622 0.95 CTSB (0.41) SIRT2SIRT1CAPN1CAPN2CTSL
SCHEMBL7321181 0.92 SIRT2 (0.39) SIRT2SIRT1CAPN1CAPN2CTSL
SCHEMBL7319908 0.92 REN (0.37) SIRT2SIRT1CAPN1CAPN2CTSB
SCHEMBL7329554 0.86 SIRT2 (0.35) SIRT2SIRT1CAPN1CAPN2CTSB
SCHEMBL7323558 0.86 SIRT2 (0.33) SIRT2SIRT1CAPN1CAPN2SIRT3
SCHEMBL7323289 0.84 CTSL (0.41) SIRT2SIRT1CAPN1CAPN2CTSL
SCHEMBL9296873 0.82 SIRT2 (0.40) SIRT2SIRT1CAPN1CAPN2CTSL
SCHEMBL7333687 0.81 SIRT2 (0.32) SIRT2SIRT1CTSBCTSKSIRT3
SCHEMBL9296340 0.80 CTSB (0.42) SIRT2SIRT1CAPN1CAPN2CTSL
SCHEMBL7332120 0.79 SIRT2 (0.33) SIRT2SIRT1CAPN1CAPN2SIRT3

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