SCHEMBL19851534

SCHEMBL19851534

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.57
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CTSK P43235 3/20 0.48
PAX8 Q06710 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.45
CTSS P25774 1/20 0.45
POLB P06746 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
SCHEMBL19851861 0.92 TLR2 (0.69) TLR2MAPTMEN1KMT2ANPSR1
SCHEMBL19851747 0.89 TLR2 (0.72) TLR2MAPTMEN1KMT2ANPSR1
SCHEMBL19851664 0.89 TLR2 (0.72) TLR2MAPTMEN1KMT2ANPSR1
SCHEMBL19839636 0.88 TLR2 (0.63) TLR2MAPTTSHR
SCHEMBL19839633 0.88 TLR2 (0.63) TLR2MAPTTSHR
SCHEMBL28292694 0.87 TLR2 (0.55) TLR2MAPTMEN1KMT2ANPSR1
SCHEMBL19839673 0.86 MEN1 (0.55) TLR2MAPTMEN1KMT2ANPSR1
SCHEMBL19839686 0.86 MEN1 (0.55) TLR2MAPTMEN1KMT2ANPSR1
SCHEMBL19839675 0.86 MEN1 (0.55) TLR2MAPTMEN1KMT2ANPSR1
SCHEMBL19851639 0.85 TLR2 (0.76) TLR2TSHR

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