SCHEMBL20348156

SCHEMBL20348156

CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.85
▸ CHAT P28329 2/20 0.82
▸ EP300 Q09472 3/20 0.80
▸ KAT5 Q92993 2/20 0.80
▸ AURKA O14965 2/20 0.80
▸ KAT2B Q92831 1/20 0.80
▸ 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
SCHEMBL27966667 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL380682 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL380683 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL29509989 1.00 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL23014594 0.99 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL19359081 0.99 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL29651526 0.99 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL21410668 0.99 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL29651531 0.99 NAA50 (0.84) NAA50CHATEP300KAT5AURKA
SCHEMBL15798371 0.97 NAA50 (0.84) 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
US-20180187169-A1 THIOLASE VARIANTS AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-07-05 — — US disclosed
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