SCHEMBL21944205

SCHEMBL21944205

CNCCCCC(NC)C(=O)NC(CCCCN)C(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
NMT1 P30419 6/20 0.43
NMT2 O60551 5/20 0.43
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
TLR2 O60603 2/20 0.38
MMP9 P14780 1/20 0.38
FOLH1 Q04609 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
SIRT5 Q9NXA8 1/20 0.35
PDF Q9HBH1 1/20 0.35

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
SCHEMBL21973575 0.90 SIRT6 (0.46) SIRT6SIRT1NMT1NMT2MMP1
SCHEMBL13416823 0.86 KISS1R (0.42) SIRT6SIRT1MMP1MMP3MMP9
SCHEMBL12264542 0.86 SIRT6 (0.43) SIRT6SIRT1NMT1NMT2MMP1
SCHEMBL7980257 0.86 SIRT6 (0.43) SIRT6SIRT1NMT1NMT2MMP1
SCHEMBL23685586 0.85 SIRT6 (0.53) SIRT6SIRT1NMT1NMT2MMP1
SCHEMBL18806403 0.84 SIRT6 (0.52) SIRT6SIRT1NMT1NMT2MMP1
SCHEMBL23314723 0.82 NMT1 (0.52) SIRT6SIRT1NMT1NMT2MMP1
SCHEMBL22519362 0.81 TLR2 (0.46) SIRT6SIRT1NMT1NMT2TLR2
SCHEMBL12365274 0.81 SIRT6 (0.58) SIRT6SIRT1NMT1NMT2MMP1
SCHEMBL24860089 0.81 FOLH1 (0.55) SIRT6SIRT1NMT1NMT2FOLH1

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-3643306-A2 CARRIER-LINKED PRODRUGS HAVING REVERSIBLE CARBOXYLIC ESTER LINKAGES Ascendis Pharma A/S (DK) 2020-04-29 EP disclosed