SCHEMBL15220106

SCHEMBL15220106

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.67
CTSL P07711 2/20 0.63
CTSS P25774 1/20 0.63
CTSK P43235 1/20 0.63
CCKBR P32239 6/20 0.59
CCKAR P32238 1/20 0.58
TACR1 P25103 2/20 0.58
MAPT P10636 2/20 0.58
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
SCN9A Q15858 1/20 0.55
KMT2A Q03164 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL27902194 0.93 ACE (0.71) ACECTSLCTSSCTSKCCKBR
SCHEMBL30643016 0.93 ACE (0.71) ACECTSLCTSSCTSKCCKBR
SCHEMBL27902195 0.93 ACE (0.71) ACECTSLCTSSCTSKCCKBR
SCHEMBL15220151 0.93 CTSL (0.65) ACECTSLCTSSCTSKCCKBR
SCHEMBL15220261 0.92 MAPT (0.61) ACECTSLCTSSCTSKCCKBR
SCHEMBL8251244 0.91 ACE (0.64) ACECTSLCTSSCTSKCCKBR
SCHEMBL3468049 0.89 ACE (0.66) ACECTSLCTSSCTSKCCKBR
SCHEMBL3468048 0.89 ACE (0.66) ACECTSLCTSSCTSKCCKBR
SCHEMBL8257450 0.89 ACE (0.66) ACECTSLCTSSCTSKCCKBR
SCHEMBL27893082 0.88 ACE (0.64) ACECTSLCTSSCTSKCCKBR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865950-B1 COMPOUNDS USEFUL AS MODULATORS OF THE PROTEASOME ACTIVITY CENTRE NAT RECH SCIENT (FR) 2013-08-28 EP disclosed