SCHEMBL19203408

SCHEMBL19203408

CCCCNC(=S)NCC(=O)NC(CCCNC(N)=O)C(C)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.41
▸ NOD1 Q9Y239 7/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.37
▸ C3AR1 Q16581 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ TLR2 O60603 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SLC6A5 Q9Y345 2/20 0.34

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
SCHEMBL24860409 0.87 C3AR1 (0.38) SIRT5NOD1C3AR1SIRT6SIRT1
SCHEMBL21322742 0.81 SIRT5 (0.37) SIRT5C3AR1
SCHEMBL21322508 0.81 SIRT5 (0.37) SIRT5C3AR1HPGDSMN1; SMN2CTDSP1
SCHEMBL19203553 0.81 SIRT5 (0.37) SIRT5C3AR1
SCHEMBL20793387 0.80 C3AR1 (0.41) SIRT5NOD1C3AR1SIRT6SIRT1
SCHEMBL18051173 0.80 C3AR1 (0.41) SIRT5NOD1C3AR1SIRT6SIRT1
SCHEMBL20375713 0.80 C3AR1 (0.41) SIRT5NOD1C3AR1SIRT6SIRT1
SCHEMBL21322499 0.78 C3AR1 (0.37) SIRT5NOD1C3AR1SIRT6SIRT1
SCHEMBL19170793 0.77 C3AR1 (0.44) SIRT5NOD1C3AR1SIRT6SIRT1
SCHEMBL26167079 0.77 C3AR1 (0.38) SIRT5NOD1C3AR1SIRT6SIRT1

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
WO-2017132173-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. (US) 2017-08-03 — — WO disclosed
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