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SCHEMBL16983169

SCHEMBL16983169

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

nearest known ligand 0.89

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.89
▸ CHAT P28329 2/20 0.85
▸ EP300 Q09472 3/20 0.84
▸ AURKA O14965 2/20 0.84
▸ KAT5 Q92993 2/20 0.84
▸ KAT2B Q92831 1/20 0.84
▸ CREBBP Q92793 1/20 0.73

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
SCHEMBL21874989 1.00 NAA50 (0.89) NAA50CHATEP300AURKAKAT5
SCHEMBL28097736 1.00 NAA50 (0.89) NAA50CHATEP300AURKAKAT5
SCHEMBL25996812 1.00 NAA50 (0.89) NAA50CHATEP300AURKAKAT5
SCHEMBL59684 1.00 NAA50 (0.89) NAA50CHATEP300AURKAKAT5
SCHEMBL120458 1.00 NAA50 (0.89) NAA50CHATEP300AURKAKAT5
Lithium SCHEMBL18249414 0.99 NAA50 (0.88) NAA50CHATEP300AURKAKAT5
Lithium SCHEMBL29390807 0.99 NAA50 (0.88) NAA50CHATEP300AURKAKAT5
SCHEMBL28324180 0.98 NAA50 (0.86) NAA50CHATEP300AURKAKAT5
Isobutyraldehyde SCHEMBL28444156 0.97 NAA50 (0.84) NAA50CHATEP300AURKAKAT5
SCHEMBL28487648 0.97 NAA50 (0.84) NAA50CHATEP300AURKAKAT5

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-20150218601-A1 MICROBIOLOGICAL PRODUCTION OF 3-HYDROXYISOBUTYRIC ACID EVONIK ROEHM GMBH (DE) 2015-08-06 — — US disclosed
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