SCHEMBL20861964

SCHEMBL20861964

CNC(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)NC)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.47
SIRT1 Q96EB6 13/20 0.47
SIRT3 Q9NTG7 4/20 0.47
SIRT5 Q9NXA8 3/20 0.47
SPHK1 Q9NYA1 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL21167799 0.91 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL25100584 0.90 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL19443237 0.90 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL20327986 0.90 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL20880182 0.90 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5F2
SCHEMBL27109512 0.89 SIRT2 (0.45) SIRT2SIRT1SIRT3SIRT5
SCHEMBL21205411 0.89 HSD17B10 (0.43) SIRT2SIRT1SIRT3SIRT5PRSS1
SCHEMBL16791610 0.89 ANPEP (0.48) SIRT2SIRT1SIRT3SIRT5SPHK1
SCHEMBL29019194 0.88 SIRT2 (0.46) SIRT2SIRT1SIRT3SIRT5
SCHEMBL21205432 0.88 SIRT2 (0.48) 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-3054991-B1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS INC (US) 2019-04-03 EP disclosed