SCHEMBL27321591

SCHEMBL27321591

CCCCC(NC=O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.47
▸ SIRT6 Q8N6T7 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ DPP8 Q6V1X1 2/20 0.45
▸ DPP9 Q86TI2 2/20 0.45
▸ DPP7 Q9UHL4 2/20 0.45
▸ GNAI3 P08754 1/20 0.42
▸ GNAO1 P09471 1/20 0.42
▸ GNAI1 P63096 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ PDF Q9HBH1 1/20 0.40
▸ NMT2 O60551 2/20 0.39
▸ NMT1 P30419 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.38
▸ SLC15A1 P46059 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.37

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
SCHEMBL18105654 0.81 GSR (0.44) SIRT6SIRT1DPP8DPP9DPP7
SCHEMBL13218612 0.81 GSR (0.44) SIRT6SIRT1DPP8DPP9DPP7
SCHEMBL13067469 0.80 FOLH1 (0.54) SLC6A5CA1
SCHEMBL10046476 0.78 TLR2 (0.70) TLR2SIRT6SIRT1SLC6A5NMT2
SCHEMBL29893154 0.78 DPP8 (0.49) TLR2SIRT6SIRT1DPP8DPP9
SCHEMBL29805332 0.78 DPP8 (0.49) TLR2SIRT6SIRT1DPP8DPP9
SCHEMBL31325363 0.78 DPP8 (0.49) TLR2SIRT6SIRT1DPP8DPP9
SCHEMBL14426180 0.78 TLR2 (0.46) TLR2SIRT6SIRT1NMT2NMT1
SCHEMBL22519362 0.78 TLR2 (0.46) TLR2SIRT6SIRT1NMT2NMT1
SCHEMBL29462129 0.78 DPP8 (0.49) TLR2SIRT6SIRT1DPP8DPP9

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
WO-2023100158-A9 SUBSTRATES FOR IMAGING GLUCOCEREBROSIDASE ACTIVITY SIMON FRASER UNIVERSITY (CA) 2023-12-07 — — WO disclosed
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