SCHEMBL19851669

SCHEMBL19851669

COCCCCCOCC(CNCC(C=O)NCc1ccccc1)OCCCCCOC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 17/20 0.48
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN9A Q15858 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL19839562 0.77 TLR2 (0.57) TLR2
SCHEMBL19839849 0.77 TLR2 (0.57) TLR2
SCHEMBL19851636 0.77 TLR2 (0.53) TLR2CA12CA1CA2CA3
SCHEMBL19851685 0.77 TLR2 (0.49) TLR2
SCHEMBL19851634 0.73 TLR2 (0.48) TLR2
SCHEMBL25837482 0.72 PLA2G10 (0.47) TLR2CA1CA2CA7CA9
SCHEMBL21538639 0.72 MEN1 (0.43) CA12CA1CA2CA3CA4
SCHEMBL19839780 0.72 TLR2 (0.72) TLR2CA12CA1CA2CA3
Hydrochloric Acid SCHEMBL19839696 0.72 TLR2 (0.88) TLR2
SCHEMBL19839782 0.72 TLR2 (0.72) TLR2CA12CA1CA2CA3

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