SCHEMBL19851861

SCHEMBL19851861

CCCCCCCCOCCCNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 10/20 0.69
CTSK P43235 2/20 0.51
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
PTPN1 P18031 1/20 0.45
PAX8 Q06710 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
SIRT1 Q96EB6 2/20 0.45
SIRT3 Q9NTG7 2/20 0.45

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
SCHEMBL19851747 0.94 TLR2 (0.72) TLR2CTSKMEN1MAPTKMT2A
SCHEMBL19851664 0.94 TLR2 (0.72) TLR2CTSKMEN1MAPTKMT2A
SCHEMBL19851534 0.92 TLR2 (0.57) TLR2CTSKMEN1MAPTKMT2A
SCHEMBL19851496 0.89 TLR2 (0.74) TLR2CTSKCA1CA2
SCHEMBL19851520 0.89 TLR2 (0.74) TLR2CTSKCA1CA2
SCHEMBL19851705 0.89 TLR2 (0.74) TLR2CTSKCA1CA2
SCHEMBL19839674 0.88 TLR2 (0.76) TLR2MEN1KMT2ASIRT2SIRT1
SCHEMBL19839671 0.88 TLR2 (0.76) TLR2MEN1KMT2ASIRT2SIRT1
SCHEMBL28292702 0.86 TLR2 (0.68) TLR2MEN1KMT2ASIRT2SIRT1
SCHEMBL19839846 0.85 TLR2 (0.81) TLR2MEN1KMT2ASIRT2SIRT1

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 2 patents. 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
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