SCHEMBL27446533

SCHEMBL27446533

CCCCOC(=O)NCCCCC(NC(=O)OCCCN=[N+]=[N-])C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 14/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ EPHX2 P34913 2/20 0.36
▸ TGM2 P21980 1/20 0.35

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
SCHEMBL17411215 0.97 ACHE (0.40) ACHESIRT2SIRT1TGM2
SCHEMBL16013473 0.97 ACHE (0.40) ACHESIRT2SIRT1TGM2
SCHEMBL18532395 0.91 ACHE (0.39) ACHEEPHX2
SCHEMBL17411108 0.90 ACHE (0.37) ACHETGM2
SCHEMBL17411140 0.89 ACHE (0.34) ACHESIRT2SIRT1TGM2
SCHEMBL16013190 0.84 TGM2 (0.43) SIRT2SIRT1TGM2
SCHEMBL13148035 0.84 ACHE (0.59) ACHESIRT2SIRT1SIRT3EPHX2
SCHEMBL3695872 0.84 ACHE (0.59) ACHESIRT2SIRT1SIRT3EPHX2
SCHEMBL3699964 0.84 ACHE (0.59) ACHESIRT2SIRT1SIRT3EPHX2
SCHEMBL30354527 0.81 ACHE (0.60) ACHEEPHX2

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
EP-2964224-B1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2024-07-03 — — EP disclosed
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