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SCHEMBL21327973

SCHEMBL21327973

CC/C(C)=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.86
▸ CHAT P28329 2/20 0.80
▸ EP300 Q09472 3/20 0.79
▸ KAT5 Q92993 2/20 0.79
▸ AURKA O14965 2/20 0.79
▸ KAT2B Q92831 1/20 0.79
▸ CREBBP Q92793 1/20 0.72

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
SCHEMBL28887972 1.00 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL16428887 1.00 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL29425225 0.96 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL16018847 0.96 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL1265972 0.96 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL20211012 0.96 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL17593355 0.96 NAA50 (0.89) NAA50CHATEP300KAT5AURKA
SCHEMBL29420029 0.95 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL18327200 0.95 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL29632807 0.95 NAA50 (0.85) NAA50CHATEP300KAT5AURKA

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-3313998-B1 METHOD FOR THE ENZYMATIC PRODUCTION OF ISOAMYL ALCOHOL GLOBAL BIOENERGIES (FR) 2019-09-11 — — EP claimed