SCHEMBL7329917

SCHEMBL7329917

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 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
SCHEMBL7330327 0.90 SOAT1 (0.32)
SCHEMBL7323662 0.86 CTSD (0.34) SIRT2
SCHEMBL7332523 0.86 SOAT1 (0.33) SIRT2ALDH1A1
SCHEMBL7330215 0.85 CTSL (0.41) SIRT2CTSLCTSS
SCHEMBL7323101 0.80 SIRT2 (0.33) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL7332898 0.78 CTSD (0.33)
SCHEMBL9297056 0.78 SIRT2 (0.34) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL7332120 0.76 SIRT2 (0.33) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL7323558 0.76 SIRT2 (0.33) SIRT2MEN1ALDH1A1HPGDKMT2A
SCHEMBL7322416 0.76 CTSD (0.35)

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