SCHEMBL28044500

SCHEMBL28044500

CCCCCCCC(=O)N(C(=O)CCN)C(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 5/20 0.34
CPB1 P15086 3/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
SLC6A5 Q9Y345 1/20 0.31
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25B P30305 1/20 0.30
PTPN11 Q06124 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
XDH P47989 1/20 0.30
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL19138236 0.94 CPB2 (0.32) CPB2CPB1ITGB3ITGA2BSLC6A5
SCHEMBL16432495 0.87 LNPEP (0.31) SLC6A5
SCHEMBL14362213 0.85
SCHEMBL22711564 0.85
SCHEMBL28193003 0.85 MC5R (0.35) CPB2CPB1NPC1RAB9A
SCHEMBL8612880 0.82 ADRA2C (0.34) ITGB3ITGA2B
SCHEMBL8611865 0.82
SCHEMBL8611858 0.82
SCHEMBL8612878 0.82 ADRA2C (0.34) ITGB3ITGA2B
SCHEMBL20915119 0.80 OPRM1 (0.31)

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
CN-105189531-A Peptides for skin rejuvenation and methods of using the same NEOCUTIS SA 2015-12-23 CN disclosed