SCHEMBL19851683

SCHEMBL19851683

CCCCC/C=C\C/C=C\CCCCCCCCOCC(CNC(=O)[C@@H](CCCCN)NCc1ccccc1)OCCCCCCCC/C=C\C/C=C\CCCCC

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 20/20 0.87

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
Hydrochloric Acid SCHEMBL19839743 0.99 TLR2 (0.87) TLR2
SCHEMBL19839621 0.93 TLR2 (1.00) TLR2
SCHEMBL19839624 0.93 TLR2 (1.00) TLR2
SCHEMBL19839698 0.93 TLR2 (1.00) TLR2
Hydrochloric Acid SCHEMBL19839659 0.93 TLR2 (1.00) TLR2
Hydrochloric Acid SCHEMBL19839661 0.93 TLR2 (1.00) TLR2
Hydrochloric Acid SCHEMBL19839643 0.93 TLR2 (1.00) TLR2
Hydrochloric Acid SCHEMBL19839641 0.93 TLR2 (1.00) TLR2
SCHEMBL19839604 0.91 TLR2 (0.72) TLR2
SCHEMBL19839561 0.89 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