Sugi Predict

Sugi Predict / Compounds / SCHEMBL7524149

SCHEMBL7524149

SCHEMBL7524149

CC(C)(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](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 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.90
▸ CHAT P28329 2/20 0.86
▸ EP300 Q09472 3/20 0.85
▸ AURKA O14965 2/20 0.85
▸ KAT5 Q92993 2/20 0.85
▸ KAT2B Q92831 1/20 0.85
▸ 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
SCHEMBL12018856 1.00 NAA50 (0.90) NAA50CHATEP300AURKAKAT5
SCHEMBL30508930 1.00 NAA50 (0.90) NAA50CHATEP300AURKAKAT5
SCHEMBL30508932 1.00 NAA50 (0.90) NAA50CHATEP300AURKAKAT5
SCHEMBL119813 0.96 NAA50 (0.89) NAA50CHATEP300AURKAKAT5
SCHEMBL27771356 0.96 NAA50 (0.89) NAA50CHATEP300AURKAKAT5
SCHEMBL12409230 0.96 NAA50 (0.89) NAA50CHATEP300AURKAKAT5
SCHEMBL29378982 0.96 NAA50 (0.89) NAA50CHATEP300AURKAKAT5
SCHEMBL30221123 0.95 NAA50 (0.88) NAA50CHATEP300AURKAKAT5
SCHEMBL29238961 0.95 NAA50 (0.88) NAA50CHATEP300AURKAKAT5
SCHEMBL24418138 0.95 NAA50 (0.87) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852902-B2 Producing a trimethylpentanoic acid using hybrid polyketide synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-07 — — US disclosed
US-20120219998-A1 Producing a Trimethylpentanoic Acid Using Hybrid Polyketide Synthases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-30 — — US disclosed
EP-1190045-A2 DNA MANIPULATION METHODS , APPLICATIONS FOR SYNTHETIC ENZYMES AND USE FOR POLYKETIDE PRODUCTION Qxyz Limited (GB) 2002-03-27 — — EP disclosed
WO-2000077181-A2 DNA MANIPULATION METHODS, APPLICATIONS FOR SYNTHETIC ENZYMES AND USE FOR POLYKETIDE PRODUCTION QXYZ LIMITED (GB) 2000-12-21 — — WO disclosed