SCHEMBL23736111

SCHEMBL23736111

CN[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)OC)C/C=C/Cc2cc1ccc2OC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.32
▸ SLC6A4 P31645 4/20 0.32
▸ SLC6A3 Q01959 4/20 0.32
▸ GAA P10253 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ PDE4C Q08493 2/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ GFER P55789 1/20 0.31

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
SCHEMBL17676500 0.85 ALDH1A1 (0.30) GAAALDH1A1
SCHEMBL15727275 0.84 ALDH1A1 (0.31) GAAALDH1A1TP53SMN1; SMN2
SCHEMBL15726434 0.82 PDE4B (0.35) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL15727268 0.79 TERF2 (0.30) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL14234456 0.78 GAA (0.33) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL17282907 0.78 GAA (0.33) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL14234967 0.78 GAA (0.33) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL16003117 0.75 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3GAAALDH1A1
SCHEMBL14235320 0.72 RXRA (0.33) ALDH1A1MMP1MMP13PDE4APDE4B
SCHEMBL15253760 0.72 RXRA (0.33) ALDH1A1MMP1MMP13PDE4APDE4B

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
EP-2922829-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-08-11 — — EP disclosed
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