SCHEMBL19839794

SCHEMBL19839794

CC(C)(C)OC(=O)NCCCCC(NCc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TLR2 O60603 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ MMP2 P08253 2/20 0.48
▸ MMP9 P14780 2/20 0.48
▸ CTSK P43235 2/20 0.48
▸ SUCNR1 Q9BXA5 4/20 0.48
▸ POLB P06746 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ ACE P12821 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ PAX8 Q06710 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45

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
SCHEMBL19839791 1.00 CA1 (0.52) CA1CA2MAPTMEN1KMT2A
SCHEMBL19839675 0.94 MEN1 (0.55) CA1CA2MAPTMEN1KMT2A
SCHEMBL19839673 0.94 MEN1 (0.55) CA1CA2MAPTMEN1KMT2A
SCHEMBL19839686 0.94 MEN1 (0.55) CA1CA2MAPTMEN1KMT2A
SCHEMBL19839844 0.91 MAPT (0.51) CA1CA2MAPTMEN1KMT2A
SCHEMBL19839847 0.91 MAPT (0.51) CA1CA2MAPTMEN1KMT2A
SCHEMBL19839742 0.87 MC4R (0.52) CA1CA2MAPTMEN1KMT2A
SCHEMBL19839739 0.87 MC4R (0.52) CA1CA2MAPTMEN1KMT2A
SCHEMBL10424905 0.85 MAPT (0.54) CA1CA2MAPTMEN1KMT2A
SCHEMBL29401894 0.84 GGT1 (0.56) CA1CA2MAPTMEN1KMT2A

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
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