SCHEMBL29404284

SCHEMBL29404284

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@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCN

nearest known ligand 0.88

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAA50 Q9GZZ1 2/20 0.84
▸ EP300 Q09472 3/20 0.81
▸ CHAT P28329 2/20 0.81
▸ AURKA O14965 2/20 0.81
▸ KAT5 Q92993 2/20 0.81
▸ KAT2B Q92831 1/20 0.81
▸ CREBBP Q92793 1/20 0.71

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
SCHEMBL285390 1.00 NAA50 (0.84) NAA50EP300CHATAURKAKAT5
SCHEMBL28215952 1.00 NAA50 (0.84) NAA50EP300CHATAURKAKAT5
SCHEMBL18918371 0.98 NAA50 (0.84) NAA50EP300CHATAURKAKAT5
SCHEMBL18918373 0.97 NAA50 (0.85) NAA50EP300CHATAURKAKAT5
SCHEMBL59962 0.96 NAA50 (0.87) NAA50EP300CHATAURKAKAT5
SCHEMBL22556110 0.96 NAA50 (0.87) NAA50EP300CHATAURKAKAT5
SCHEMBL29530678 0.96 NAA50 (0.87) NAA50EP300CHATAURKAKAT5
SCHEMBL15798371 0.96 NAA50 (0.84) NAA50EP300CHATAURKAKAT5
SCHEMBL21314167 0.96 NAA50 (0.84) NAA50EP300CHATAURKAKAT5
SCHEMBL18925866 0.96 NAA50 (0.84) NAA50EP300CHATAURKAKAT5

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-20220403420-A1 MICROORGANISMS AND METHODS FOR INCREASING CO-FACTORS AGAIN BIO APS (DK) 2022-12-22 — — US disclosed
EP-4051657-A1 MICROORGANISMS AND METHODS FOR REDUCING BY-PRODUCTS Genomatica, Inc. (US) 2022-09-07 — — EP disclosed
EP-4048781-A1 MICROORGANISMS AND METHODS FOR INCREASING CO-FACTORS Genomatica, Inc. (US) 2022-08-31 — — EP disclosed
JP-2022031675-A MICROORGANISMS AND METHODS FOR BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID ゲノマチカ, インク. 2022-02-22 — — JP disclosed
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