SCHEMBL23736282

SCHEMBL23736282

COC(=O)[C@@H]1C/C=C/COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](N)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ CTSD P07339 3/20 0.44
▸ BACE1 P56817 2/20 0.44
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ PLG P00747 1/20 0.33
▸ EPHX2 P34913 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
SCHEMBL23736276 0.94 GAA (0.49) GAACTSDBACE1NFKB1NFKB2
SCHEMBL23736230 0.83 GAA (0.50) GAACTSDBACE1NFKB1NFKB2
SCHEMBL15727180 0.83 CTSD (0.55) GAACTSDBACE1NFKB1NFKB2
SCHEMBL27419818 0.82 GAA (0.48) GAACTSDBACE1NFKB1NFKB2
SCHEMBL23736034 0.82 GAA (0.48) GAACTSDBACE1NFKB1NFKB2
SCHEMBL23736117 0.81 GAA (0.47) GAACTSDBACE1NFKB1NFKB2
SCHEMBL15727315 0.80 CTSD (0.53) GAACTSDBACE1NFKB1NFKB2
SCHEMBL17884315 0.79 CTSD (0.49) GAACTSDBACE1
SCHEMBL27419914 0.78 GAA (0.44) GAACTSDBACE1NFKB1NFKB2
SCHEMBL15750409 0.76 BACE1 (0.47) GAACTSDBACE1NFKB1NFKB2

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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