SCHEMBL28292702

SCHEMBL28292702

CCCCCCCCOCCCNC(=O)C(CCCCOC(=O)NC(C)(C)C)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 12/20 0.68
SIRT2 Q8IXJ6 7/20 0.44
SIRT1 Q96EB6 5/20 0.44
SIRT3 Q9NTG7 4/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL28292696 0.95 TLR2 (0.67) TLR2SIRT2SIRT1SIRT3MEN1
SCHEMBL28291242 0.95 TLR2 (0.67) TLR2SIRT2SIRT1SIRT3MEN1
SCHEMBL19851861 0.86 TLR2 (0.69) TLR2SIRT2SIRT1SIRT3MEN1
SCHEMBL19839674 0.86 TLR2 (0.76) TLR2SIRT2SIRT1SIRT3MEN1
SCHEMBL19839671 0.86 TLR2 (0.76) TLR2SIRT2SIRT1SIRT3MEN1
SCHEMBL28292695 0.85 TLR2 (0.51) TLR2SIRT2SIRT1SIRT3MEN1
SCHEMBL19839897 0.85 TLR2 (0.92) TLR2SIRT2SIRT1SIRT3
SCHEMBL19839899 0.85 TLR2 (0.92) TLR2SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL19839828 0.84 TLR2 (0.90) TLR2SIRT2SIRT1SIRT3
Hydrochloric Acid SCHEMBL19839829 0.84 TLR2 (0.90) TLR2SIRT2SIRT1SIRT3

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
CN-109715167-A Lipid-substituted amino 1, 2-and 1, 3-diol compounds as modulators of TLR2 dimerization 神经孔疗法股份有限公司 2019-05-03 CN claimed