SCHEMBL1022746

SCHEMBL1022746

CCCC(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CN1CCN(C)CC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.45
PSMB5 P28074 11/20 0.43
PSMB10 P40306 4/20 0.43
PSMB2 P49721 4/20 0.43
PSMB8 P28062 3/20 0.43
PSMB9 P28065 3/20 0.43
TMPRSS11D O60235 1/20 0.41
CTRL P40313 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
CYP3A7 P24462 2/20 0.41
CYP3A43 Q9HB55 2/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMD11 O00231 1/20 0.41
PSMD12 O00232 1/20 0.41
PSMD14 O00487 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMD3 O43242 1/20 0.41
CTSB P07858 1/20 0.41
PSMC3 P17980 1/20 0.41

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
SCHEMBL3836101 0.91 SIGMAR1 (0.47) SIGMAR1PSMB5PSMB10PSMB2PSMB8
SCHEMBL3836098 0.91 SIGMAR1 (0.47) SIGMAR1PSMB5PSMB10PSMB2PSMB8
SCHEMBL1030781 0.88 SIGMAR1 (0.48) SIGMAR1PSMB5PSMB10PSMB2PSMB8
SCHEMBL12883690 0.86 SIGMAR1 (0.51) SIGMAR1FOLH1
SCHEMBL1030777 0.81 BIRC2 (0.48) SIGMAR1PSMB5PSMB10PSMB2PSMB8
SCHEMBL13647325 0.81 BIRC2 (0.48) SIGMAR1PSMB5PSMB10PSMB2PSMB8
SCHEMBL1177237 0.81 SIGMAR1 (0.45) SIGMAR1PSMB5PSMB10PSMB2PSMB8
SCHEMBL1030783 0.81 BIRC2 (0.48) SIGMAR1PSMB5PSMB10PSMB2PSMB8
SCHEMBL3838521 0.79 PSMB5 (0.40) SIGMAR1PSMB5PSMB10PSMB2PSMB8
SCHEMBL21793572 0.78 TMPRSS11D (0.65) PSMB5PSMB10PSMB2PSMB8PSMB9

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
EP-2274621-A2 COMPOUNDS AND METHODS FOR THE LABELING AND AFFINITY-SELECTION OF PROTEINS Koninklijke Philips Electronics N.V. (NL) 2011-01-19 EP disclosed
WO-2009125316-A2 COMPOUNDS AND METHODS FOR THE LABELING AND AFFINITY-SELECTION OF PROTEINACEOUS MOLECULES KONINKLIJKE PHILIPS ELECTRONICS N. V. (NL) 2009-10-15 WO disclosed