SCHEMBL22508702

SCHEMBL22508702

CCCOC(=O)NC(CCN)C(=O)NCCC=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.38
SIRT3 Q9NTG7 2/20 0.38
DPP7 Q9UHL4 1/20 0.37
TLR2 O60603 6/20 0.37
RRM1 P23921 1/20 0.36
CTSS P25774 3/20 0.34
CTSK P43235 3/20 0.34
CTSL P07711 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
NMBR P28336 2/20 0.33

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
SCHEMBL22508709 0.81 CTSS (0.49) CTSSCTSKCTSL
SCHEMBL7351535 0.75 ACHE (0.55) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20542752 0.71 SIRT1 (0.70) SIRT1SIRT6SIRT2SIRT3TLR2
SCHEMBL20542735 0.71 SIRT1 (0.70) SIRT1SIRT6SIRT2SIRT3TLR2
SCHEMBL20542632 0.71 SIRT1 (0.70) SIRT1SIRT6SIRT2SIRT3TLR2
SCHEMBL20542736 0.71 SIRT1 (0.70) SIRT1SIRT6SIRT2SIRT3TLR2
Hydrochloric Acid SCHEMBL20542921 0.70 SIRT1 (0.69) SIRT1SIRT6SIRT2SIRT3TLR2
Hydrochloric Acid SCHEMBL20542923 0.70 SIRT1 (0.69) SIRT1SIRT6SIRT2SIRT3TLR2
Hydrochloric Acid SCHEMBL20542761 0.70 SIRT1 (0.69) SIRT1SIRT6SIRT2SIRT3TLR2
Hydrochloric Acid SCHEMBL20542763 0.70 SIRT1 (0.69) SIRT1SIRT6SIRT2SIRT3TLR2

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
EP-3030545-B1 AMINO ACID DERIVATIVES MEDIMMUNE LTD (GB) 2020-10-07 EP disclosed