SCHEMBL19851727

SCHEMBL19851727

CCCCC/C=C\C/C=C\CCCCCCCCOCC(CNC(=O)CNCc1ccccc1)OCCCCCCCC/C=C\C/C=C\CCCCC

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 15/20 0.55
EPHX2 P34913 5/20 0.54
FAAH O00519 3/20 0.54
CNR1 P21554 2/20 0.54
CNR2 P34972 2/20 0.54

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
SCHEMBL19851668 0.93 TLR2 (0.61) TLR2
SCHEMBL19851628 0.87 TLR2 (0.54) TLR2EPHX2FAAH
SCHEMBL19851636 0.86 TLR2 (0.53) TLR2
SCHEMBL19851683 0.80 TLR2 (0.87) TLR2
Hydrochloric Acid SCHEMBL19839743 0.80 TLR2 (0.87) TLR2
SCHEMBL19839604 0.80 TLR2 (0.72) TLR2EPHX2FAAHCNR1CNR2
SCHEMBL19839849 0.79 TLR2 (0.57) TLR2CNR1CNR2
SCHEMBL19839562 0.79 TLR2 (0.57) TLR2CNR1CNR2
SCHEMBL19851681 0.79 TLR2 (0.65) TLR2
SCHEMBL2838676 0.76 TLR2 (0.47) TLR2EPHX2FAAHCNR1CNR2

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