SCHEMBL19693052

SCHEMBL19693052

CC(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)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCN

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.86
▸ CHAT P28329 2/20 0.82
▸ EP300 Q09472 3/20 0.81
▸ KAT5 Q92993 2/20 0.81
▸ AURKA O14965 2/20 0.81
▸ KAT2B Q92831 1/20 0.81
▸ 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
SCHEMBL15299842 1.00 NAA50 (0.86) NAA50CHATEP300KAT5AURKA
SCHEMBL28216089 0.99 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL29396999 0.99 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL18918369 0.99 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL284786 0.99 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL28041178 0.99 NAA50 (0.85) NAA50CHATEP300KAT5AURKA
SCHEMBL59962 0.98 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL22556110 0.98 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL29530678 0.98 NAA50 (0.87) NAA50CHATEP300KAT5AURKA
SCHEMBL59721 0.97 NAA50 (0.88) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046981-B2 Host cell modified to produce lactams THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-29 — — US disclosed
US-20190338321-A1 Host Cell Modified to Produce Lactams THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-11-07 — — US disclosed
WO-2017214159-A1 A HOST CELL MODIFIED TO PRODUCE LACTAMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-12-14 — — WO disclosed
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