SCHEMBL19851643

SCHEMBL19851643

CCCCCCCCCCCCCCNC(=O)[C@@H](CCCCN)NC(=O)OCc1ccccc1

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 16/20 0.86
SIRT1 Q96EB6 11/20 0.86
SIRT3 Q9NTG7 11/20 0.86
TLR2 O60603 3/20 0.71
CPB1 P15086 1/20 0.67
CPB2 Q96IY4 1/20 0.67

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
SCHEMBL28291230 1.00 SIRT2 (0.86) SIRT2SIRT1SIRT3TLR2CPB1
SCHEMBL19851672 0.94 SIRT2 (0.77) SIRT2SIRT1SIRT3TLR2CPB1
SCHEMBL11737428 0.92 CTSL (0.76) SIRT2SIRT1SIRT3
SCHEMBL20542671 0.89 SIRT2 (0.69) SIRT2SIRT1SIRT3
SCHEMBL20542673 0.89 SIRT2 (0.69) SIRT2SIRT1SIRT3
SCHEMBL20542972 0.89 SIRT2 (0.69) SIRT2SIRT1SIRT3
SCHEMBL20545282 0.89 SIRT2 (0.69) SIRT2SIRT1SIRT3
SCHEMBL30891387 0.89 SIRT2 (0.75) SIRT2SIRT1SIRT3TLR2CPB1
SCHEMBL7388911 0.88 SIRT2 (0.68) SIRT2SIRT1SIRT3TLR2CPB1
SCHEMBL7324738 0.87 SIRT2 (0.67) SIRT2SIRT1SIRT3TLR2CPB1

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-2018026866-A1 LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION NEUROPORE THERAPIES, INC. (US) 2018-02-08 WO disclosed