SCHEMBL19851696

SCHEMBL19851696

CCCCCCCCCCCCCCOCC(CNC(=O)CNCCC)OCCCCCCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 16/20 0.67
LPAR1 Q92633 4/20 0.47
LPAR3 Q9UBY5 4/20 0.47
LPAR2 Q9HBW0 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
SCHEMBL19839713 0.86 TLR2 (0.70) TLR2LPAR1LPAR3LPAR2
SCHEMBL19159189 0.85 TLR2 (0.75) TLR2LPAR1LPAR3LPAR2
SCHEMBL16153009 0.82 TLR2 (0.74) TLR2LPAR1LPAR3LPAR2
SCHEMBL19851668 0.81 TLR2 (0.61) TLR2
SCHEMBL19839827 0.81 TLR2 (0.73) TLR2LPAR1LPAR3
SCHEMBL19839666 0.80 TLR2 (0.68) TLR2LPAR1LPAR3LPAR2
SCHEMBL135007 0.80 TLR2 (0.68) TLR2LPAR1LPAR3LPAR2
SCHEMBL19851856 0.80 TLR2 (0.61) TLR2LPAR1LPAR3
SCHEMBL19851654 0.80 TLR2 (0.61) TLR2LPAR1LPAR3
SCHEMBL29262958 0.80 TLR2 (0.76) TLR2LPAR1LPAR3LPAR2

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