SCHEMBL15220104

SCHEMBL15220104

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.58
CCKAR P32238 1/20 0.58
CTSL P07711 2/20 0.56
HDAC8 Q9BY41 1/20 0.56
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
MAPT P10636 2/20 0.56
TP53 P04637 1/20 0.56
ACE P12821 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
KLK5 Q9Y337 1/20 0.54
TACR1 P25103 2/20 0.54
PTPN1 P18031 2/20 0.53
PTPN2 P17706 1/20 0.53
CDC25B P30305 1/20 0.53
KLK7 P49862 1/20 0.52

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
SCHEMBL8255303 0.96 CCKBR (0.56) CCKBRCCKARCTSLHDAC8CTSS
SCHEMBL8251244 0.93 ACE (0.64) CCKBRCCKARCTSLCTSSCTSK
SCHEMBL15220102 0.92 CTSL (0.61) CCKBRCCKARCTSLCTSSCTSK
SCHEMBL12706438 0.90 REN (0.60) CCKBRCTSLHDAC8CTSSCTSK
SCHEMBL12706440 0.90 CCKBR (0.63) CCKBRCTSLHDAC8CTSSCTSK
SCHEMBL15220261 0.89 MAPT (0.61) CCKBRCCKARCTSLHDAC8CTSS
SCHEMBL8255302 0.89 CCKBR (0.59) CCKBRCCKARCTSLCTSSCTSK
SCHEMBL8251042 0.89 CCKBR (0.59) CCKBRCCKARCTSLHDAC8CTSS
SCHEMBL12706460 0.87 REN (0.58) CCKBRCTSLCTSSCTSKMAPT
SCHEMBL8258464 0.87 PSMB8 (0.60) CCKBRCCKAR

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