SCHEMBL23736230

SCHEMBL23736230

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ CTSD P07339 2/20 0.44
▸ BACE1 P56817 1/20 0.35
▸ CPB2 Q96IY4 3/20 0.34
▸ PLG P00747 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ TERF2 Q15554 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ REN P00797 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 0.94 GAA (0.48) GAACTSDBACE1CPB2PLG
SCHEMBL23736117 0.93 GAA (0.47) GAACTSDBACE1CPB2PLG
SCHEMBL23736276 0.89 GAA (0.49) GAACTSDBACE1PLGEPHX2
SCHEMBL15727314 0.89 CTSD (0.55) GAACTSDBACE1TERF2
SCHEMBL23736282 0.83 GAA (0.47) GAACTSDBACE1PLGEPHX2
SCHEMBL15727299 0.82 CTSD (0.53) GAACTSDBACE1TERF2REN
SCHEMBL15727316 0.82 CTSD (0.53) GAACTSDBACE1TERF2
SCHEMBL23736280 0.80 KMT2A (0.33) —
SCHEMBL23736092 0.79 CTSD (0.44) GAACTSDBACE1CPB2ALDH1A1
SCHEMBL23736353 0.79 CTSD (0.43) GAACTSDBACE1CPB2ALDH1A1

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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