SCHEMBL3836098

SCHEMBL3836098

CC(C)C[C@H](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 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
PSMB5 P28074 7/20 0.46
PSMB10 P40306 3/20 0.46
PSMB2 P49721 3/20 0.46
PSMB9 P28065 3/20 0.46
PSMB8 P28062 2/20 0.46
ALDH1A1 P00352 2/20 0.44
NTSR1 P30989 3/20 0.43
TMPRSS11D O60235 1/20 0.42
CTRL P40313 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
OPRK1 P41145 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

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 1.00 SIGMAR1 (0.47) SIGMAR1PSMB5PSMB10PSMB2PSMB9
SCHEMBL12883690 0.94 SIGMAR1 (0.51) SIGMAR1ALDH1A1NTSR1MEN1LMNA
SCHEMBL1030781 0.94 SIGMAR1 (0.48) SIGMAR1PSMB5PSMB10PSMB2PSMB9
SCHEMBL1022746 0.91 SIGMAR1 (0.45) SIGMAR1PSMB5PSMB10PSMB2PSMB9
SCHEMBL1177237 0.87 SIGMAR1 (0.45) SIGMAR1PSMB5PSMB10PSMB2PSMB9
SCHEMBL1030783 0.87 BIRC2 (0.48) SIGMAR1PSMB5PSMB10PSMB2PSMB9
SCHEMBL1030777 0.87 BIRC2 (0.48) SIGMAR1PSMB5PSMB10PSMB2PSMB9
SCHEMBL13647325 0.87 BIRC2 (0.48) SIGMAR1PSMB5PSMB10PSMB2PSMB9
SCHEMBL3838521 0.86 PSMB5 (0.40) SIGMAR1PSMB5PSMB10PSMB2PSMB9
SCHEMBL12884017 0.82 FOLH1 (0.42) SIGMAR1PSMB5PSMB10PSMB2PSMB9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009125318-A2 SELECTIVE ENRICHMENT OF N-TERMINALLY MODIFIED PEPTIDES FROM COMPLEX SAMPLES KONINKLIJKE PHILIPS ELECTRONICS N. V. (NL) 2009-10-15 WO disclosed
EP-2108654-A1 Selective enrichment of n-terminally modified peptides from complex samples Koninklijke Philips Electronics N.V. (NL) 2009-10-14 EP disclosed
EP-2108957-A1 Compounds and methods for the labelling and affinity-selection of proteins Koninklijke Philips Electronics N.V. (NL) 2009-10-14 EP disclosed