SCHEMBL6130195

SCHEMBL6130195

CCCCCCOC(=O)C(Cc1c[nH]cn1)NC(=O)CCN

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
NOD1 Q9Y239 4/20 0.41
HDAC6 Q9UBN7 4/20 0.40
HDAC1 Q13547 2/20 0.40
TLR2 O60603 2/20 0.37
XDH P47989 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
HTT P42858 1/20 0.35
CPB2 Q96IY4 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRND Q07001 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8678394 1.00 ITGB3 (0.45) ITGB3ITGA2BNOD1HDAC6HDAC1
SCHEMBL3916325 1.00 ITGB3 (0.45) ITGB3ITGA2BNOD1HDAC6HDAC1
SCHEMBL8678436 1.00 ITGB3 (0.45) ITGB3ITGA2BNOD1HDAC6HDAC1
SCHEMBL6130186 0.96 ITGB3 (0.41) ITGB3ITGA2BNOD1HDAC6HDAC1
SCHEMBL8679276 0.94 SLC6A5 (0.44) ITGB3ITGA2BNOD1SLC6A5
SCHEMBL8676729 0.93 SLC6A5 (0.43) ITGB3ITGA2BSLC6A5SMN1; SMN2
SCHEMBL8677099 0.93 SLC6A5 (0.43) ITGB3ITGA2BSLC6A5SMN1; SMN2
SCHEMBL27578189 0.88 HDAC6 (0.36) ITGB3ITGA2BHDAC6HDAC1
SCHEMBL9754686 0.88 ITGB3 (0.40) ITGB3ITGA2BNOD1HDAC6HDAC1
SCHEMBL6130220 0.87 HDAC6 (0.39) ITGB3ITGA2BHDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328620-A4 COMPOSITIONS AND METHODS FOR DELAYING, PREVENTING, REJUVENATING OR REVERSING SENESCENCE IN CELLS BETA PEPTIDE FOUND PTY LTD (AU) 2005-11-09 EP disclosed
US-20040014814-A1 Compositions and methods for delaying preventing rejuvenating or reversing senescence in cells BETA PEPTIDE FOUNDATION PTY LTD., THE (AU) 2004-01-22 US disclosed
EP-1328620-A1 COMPOSITIONS AND METHODS FOR DELAYING, PREVENTING, REJUVENATING OR REVERSING SENESCENCE IN CELLS The Beta Peptide Foundation Pty Ltd (AU) 2003-07-23 EP disclosed
WO-2002026940-A1 COMPOSITIONS AND METHODS FOR DELAYING, PREVENTING, REJUVENATING OR REVERSING SENESCENCE IN CELLS THE BETA PEPTIDE FOUNDATION PTY LTD (AU) 2002-04-04 WO disclosed