SCHEMBL7329554

SCHEMBL7329554

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 7/20 0.35
SOAT1 P35610 2/20 0.34
SIRT1 Q96EB6 5/20 0.34
CTSB P07858 2/20 0.33
CTSK P43235 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CAPN1 P07384 1/20 0.33
CAPN2 P17655 1/20 0.33

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
SCHEMBL7323628 0.91 SIRT2 (0.33) SIRT2SIRT1CTSBCTSKTLR2
SCHEMBL7328766 0.86 SOAT1 (0.31) SOAT1MMEACECPA1ACE2
SCHEMBL7331504 0.86 SIRT2 (0.38) SIRT2SIRT1CTSBCTSKMEN1
SCHEMBL7328933 0.85 SOAT1 (0.37) SIRT2SOAT1SIRT1HDAC3HDAC4
SCHEMBL7330316 0.81 SOAT1 (0.31) SOAT1
SCHEMBL7326622 0.81 CTSB (0.41) SIRT2SIRT1CTSBCTSKMEN1
SCHEMBL9297033 0.79 CTSB (0.42) SIRT2CTSBCTSKMEN1KMT2A
SCHEMBL7324588 0.79 CTSD (0.32)
SCHEMBL7331182 0.78 SOAT1 (0.32) SOAT1TLR2
SCHEMBL7319908 0.78 REN (0.37) SIRT2SIRT1CTSBCTSKCAPN1

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