SCHEMBL21167799

SCHEMBL21167799

CNC(CCCNC(N)=O)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.44
SIRT1 Q96EB6 12/20 0.44
SIRT3 Q9NTG7 3/20 0.44
SIRT5 Q9NXA8 3/20 0.44
SPHK1 Q9NYA1 1/20 0.43
ADAM10 O14672 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM8 P78325 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL25100584 0.92 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL19443237 0.92 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL20327986 0.92 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL20861964 0.91 SIRT2 (0.47) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL25100437 0.89 ROCK2 (0.42) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL25765345 0.89 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5
SCHEMBL24728294 0.88 SIRT2 (0.46) SIRT2SIRT1SIRT3SIRT5ADAM10
SCHEMBL19633304 0.86 SPHK1 (0.41) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL24094770 0.86 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5
SCHEMBL20043710 0.86 SIRT2 (0.46) SIRT2SIRT1SIRT3SIRT5

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-2928902-B1 CONJUGATE COMPOUNDS VICTORIA LINK LTD (NZ) 2019-07-17 EP disclosed