SCHEMBL23838548

SCHEMBL23838548

CCCC(=O)NCC(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CONC(=O)/C(C)=C/C(NC(=O)CNC=O)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 9/20 0.37
SIRT2 Q8IXJ6 10/20 0.34
SIRT3 Q9NTG7 4/20 0.34
GRIA1 P42261 6/20 0.33

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
SCHEMBL22901378 0.86 ADAM10 (0.38) SIRT1SIRT2SIRT3
SCHEMBL21782008 0.81 CHRNB2 (0.44) SIRT1SIRT2GRIA1
SCHEMBL21649652 0.78 SIRT1 (0.42) SIRT1SIRT2GRIA1
SCHEMBL22593891 0.77 TRPV1 (0.45) GRIA1
SCHEMBL24115692 0.77 SIRT2 (0.37) SIRT1SIRT2SIRT3
SCHEMBL20880212 0.77 SIRT2 (0.44) SIRT1SIRT2SIRT3GRIA1
SCHEMBL22214485 0.76 SIRT2 (0.46) SIRT1SIRT2SIRT3GRIA1
SCHEMBL23739148 0.76 SIRT2 (0.43) SIRT1SIRT2SIRT3GRIA1
SCHEMBL21782007 0.74 C3AR1 (0.37) SIRT1SIRT2
SCHEMBL20880254 0.74 SIRT2 (0.39) SIRT1SIRT2SIRT3

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-3057610-B1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS SORRENTO THERAPEUTICS INC (US) 2021-09-22 EP disclosed