SCHEMBL7333687

SCHEMBL7333687

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.32
SIRT1 Q96EB6 3/20 0.32
SIRT3 Q9NTG7 3/20 0.32
CTSD P07339 7/20 0.32
LNPEP Q9UIQ6 2/20 0.31
ERAP2 Q6P179 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
REN P00797 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7323558 0.96 SIRT2 (0.33) SIRT2SIRT1SIRT3LNPEPERAP2
SCHEMBL7332120 0.93 SIRT2 (0.33) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL7330316 0.89 SOAT1 (0.31) CTSD
SCHEMBL7326622 0.86 CTSB (0.41) SIRT2SIRT1SIRT3CTSBCTSK
SCHEMBL7328766 0.84 SOAT1 (0.31)
SCHEMBL7323101 0.84 SIRT2 (0.33) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL9297056 0.83 SIRT2 (0.34) SIRT2SIRT1SIRT3MEN1KMT2A
SCHEMBL9296616 0.83 CA2 (0.34) CTSDLNPEPERAP2MEN1KMT2A
SCHEMBL7323662 0.81 CTSD (0.34) SIRT2SIRT1SIRT3CTSDLNPEP
SCHEMBL7331504 0.81 SIRT2 (0.38) SIRT2SIRT1SIRT3CTSBCTSK

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