SCHEMBL22994980

SCHEMBL22994980

C#CCCC(=O)N[C@H](CCCCNC(=O)O)C(=O)NC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.37
GLP1R P43220 8/20 0.36
FOLH1 Q04609 1/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
BMP1 P13497 1/20 0.35
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT5 Q9NXA8 2/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PGGT1B P53609 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL19115851 0.80 SIRT1 (0.42) FOLH1MMP1MMP3MMP8BMP1
SCHEMBL30003706 0.80 GLP1R (0.42) NOD1GLP1RNMT2NMT1SIRT6
SCHEMBL30003719 0.80 NOD1 (0.48) NOD1GLP1RFOLH1FNTAFNTB
SCHEMBL30003728 0.77 KMT2A (0.50) NOD1GLP1RSIRT1
SCHEMBL28332209 0.76 SIRT1 (0.43) GLP1RFOLH1SIRT6SIRT1SIRT5
SCHEMBL23758129 0.75 SIRT1 (0.44) FOLH1SIRT6SIRT1SIRT5
SCHEMBL1564794 0.73 ALDH1A1 (0.45) NOD1FOLH1FNTAFNTBPGGT1B
SCHEMBL22994976 0.73 MEN1 (0.51) NOD1FOLH1SIRT5
SCHEMBL19358763 0.73 MEN1 (0.51) NOD1FOLH1SIRT5
SCHEMBL19358764 0.73 MEN1 (0.51) NOD1FOLH1SIRT5

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-2021028686-A1 MODIFIED MULTIMERIC BICYCLIC PEPTIDE LIGANDS BICYCLETX LIMITED (GB) 2021-02-18 WO disclosed