SCHEMBL17424313

SCHEMBL17424313

CNCCCC[C@H](NC)C(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC)NC)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.48
TLR2 O60603 2/20 0.45
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
ROCK2 O75116 3/20 0.39
PRKACA P17612 1/20 0.39
AKT3 Q9Y243 1/20 0.39
ALB P02768 1/20 0.39
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
DPP7 Q9UHL4 2/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
NOD1 Q9Y239 1/20 0.35
NPY4R P50391 3/20 0.35
NPY1R P25929 2/20 0.35
NPY2R P49146 2/20 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
SCHEMBL22020896 0.92 SIRT6 (0.54) SIRT5TLR2SIRT6SIRT1ROCK2
SCHEMBL18291772 0.90 SIRT6 (0.45) SIRT5TLR2SIRT6SIRT1NMT2
SCHEMBL13997929 0.87 SIRT5 (0.46) SIRT5TLR2SIRT6SIRT1ROCK2
SCHEMBL12519427 0.87 GNAI3 (0.52) SIRT5TLR2SIRT6SIRT1ROCK2
SCHEMBL25841978 0.87 FOLH1 (0.47) TLR2SIRT6SIRT1NOD1
SCHEMBL24817235 0.83 TLR2 (0.52) SIRT5TLR2SIRT6SIRT1ROCK2
SCHEMBL14004794 0.83 SIRT6 (0.42) TLR2SIRT6SIRT1NMT2NMT1
SCHEMBL24155382 0.83 KISS1R (0.45) SIRT5TLR2SIRT6SIRT1NMT2
SCHEMBL24155383 0.83 KISS1R (0.45) SIRT5TLR2SIRT6SIRT1NMT2
SCHEMBL24155380 0.83 KISS1R (0.45) SIRT5TLR2SIRT6SIRT1NMT2

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
US-9234007-B2 RGD mimetic γ-AApeptides and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2016-01-12 US disclosed