SCHEMBL19839740

SCHEMBL19839740

CCCCCCCOC(CNC(=O)C(CCCCNC(=O)O)NCc1ccccc1)COC

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 17/20 0.73
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN9A Q15858 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43

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
SCHEMBL19839738 1.00 TLR2 (0.73) TLR2MEN1ALDH1A1HPGDKMT2A
SCHEMBL19839605 0.94 TLR2 (0.82) TLR2
SCHEMBL19839602 0.94 TLR2 (0.82) TLR2
SCHEMBL19839871 0.94 TLR2 (0.82) TLR2
SCHEMBL19839782 0.92 TLR2 (0.72) TLR2CA12CA1CA2CA3
SCHEMBL19839780 0.92 TLR2 (0.72) TLR2CA12CA1CA2CA3
SCHEMBL19839904 0.90 TLR2 (0.82) TLR2
SCHEMBL19839905 0.90 TLR2 (0.82) TLR2
SCHEMBL19851638 0.90 TLR2 (0.90) TLR2
Hydrochloric Acid SCHEMBL19839691 0.89 TLR2 (0.90) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3493814-A1 LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION Neuropore Therapies, Inc. (US) 2019-06-12 EP disclosed
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