SCHEMBL19851495

SCHEMBL19851495

CCCCCCCCCCCCCCOCC(CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NCc1ccc(F)cc1)OCCCCCCCCCCCCCC

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 18/20 0.75
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46

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
SCHEMBL19851705 0.92 TLR2 (0.74) TLR2CA1CA2
SCHEMBL19851496 0.92 TLR2 (0.74) TLR2CA1CA2
SCHEMBL19851520 0.92 TLR2 (0.74) TLR2CA1CA2
SCHEMBL19851494 0.91 TLR2 (0.75) TLR2CA1CA2
SCHEMBL19839682 0.89 TLR2 (0.81) TLR2
SCHEMBL19839830 0.89 TLR2 (0.81) TLR2
SCHEMBL19851667 0.88 TLR2 (0.66) TLR2
SCHEMBL19851484 0.88 TLR2 (0.61) TLR2CA1CA2
SCHEMBL19839729 0.86 TLR2 (1.00) TLR2
SCHEMBL19839731 0.86 TLR2 (1.00) TLR2

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