SCHEMBL6745774

SCHEMBL6745774

CC(C)(C)OC(=O)NC(CCCCC(NC(=O)OC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.56
CTSS P25774 5/20 0.56
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46

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
SCHEMBL14150791 1.00 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6837916 0.96 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A
SCHEMBL14820490 0.93 CTSK (0.62) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1313516 0.93 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL18875931 0.93 CTSK (0.62) CTSKCTSSMEN1GAAKMT2A
SCHEMBL23013538 0.93 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL788895 0.93 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3233192 0.93 CTSK (0.62) CTSKCTSSMEN1GAAKMT2A
SCHEMBL7550258 0.92 CTSK (0.60) CTSKCTSS
SCHEMBL5050858 0.92 CTSK (0.60) CTSKCTSS

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
US-20040086949-A1 Method for preparing a ligand presenting assembly (LPA), an LPA and uses thereof STATENS SERUM INSTITUT 2004-05-06 US disclosed
EP-1117677-B1 LIGAND PRESENTING ASSEMBLY (LPA), METHOD OF PREPARATION AND USES THEREOF STATENS SERUMINSTITUT (DK) 2003-11-12 EP disclosed