SCHEMBL23736117

SCHEMBL23736117

COC(=O)[C@@H]1CCOCCCCOC[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 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ CTSD P07339 2/20 0.43
▸ NAAA Q02083 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ CPB2 Q96IY4 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ REN P00797 1/20 0.31
▸ TERF2 Q15554 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30

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
SCHEMBL23736034 0.95 GAA (0.48) GAACTSDNAAABACE1CPB2
SCHEMBL23736230 0.93 GAA (0.50) GAACTSDBACE1CPB2BTK
SCHEMBL15727316 0.89 CTSD (0.53) GAACTSDNAAABACE1TERF2
SCHEMBL15750384 0.85 CTSD (0.47) GAACTSDNAAABACE1TERF2
SCHEMBL23736353 0.85 CTSD (0.43) GAACTSDNAAABACE1CPB2
SCHEMBL15727299 0.83 CTSD (0.53) GAACTSDBACE1RENTERF2
SCHEMBL23736276 0.82 GAA (0.49) GAACTSDBACE1BTKPLG
SCHEMBL15727314 0.82 CTSD (0.55) GAACTSDBACE1TERF2
SCHEMBL23736283 0.81 KMT2A (0.31) —
SCHEMBL23736282 0.81 GAA (0.47) GAACTSDBACE1PLGNFKB1

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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