SCHEMBL17991822

SCHEMBL17991822

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)C(F)(F)I)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 4/20 0.45
▸ KAT5 Q92993 2/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ RNASEL Q05823 7/20 0.42
▸ CHAT P28329 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ NAA50 Q9GZZ1 1/20 0.41

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
SCHEMBL15083493 0.96 EP300 (0.47) EP300KAT5CREBBPRNASELCHAT
SCHEMBL16288778 0.96 EP300 (0.47) EP300KAT5CREBBPRNASELCHAT
SCHEMBL16288783 0.96 EP300 (0.47) EP300KAT5CREBBPRNASELCHAT
SCHEMBL16288769 0.96 EP300 (0.47) EP300KAT5CREBBPRNASELCHAT
SCHEMBL16574820 0.96 EP300 (0.47) EP300KAT5CREBBPRNASELCHAT
SCHEMBL16288774 0.96 EP300 (0.47) EP300KAT5CREBBPRNASELCHAT
SCHEMBL16288767 0.96 EP300 (0.47) EP300KAT5CREBBPRNASELCHAT
SCHEMBL23157246 0.91 DOT1L (0.46) EP300KAT5CREBBPRNASELCHAT
SCHEMBL16289546 0.91 DOT1L (0.46) EP300KAT5CREBBPRNASELCHAT
SCHEMBL16289533 0.91 DOT1L (0.46) EP300KAT5CREBBPRNASELCHAT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
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