SCHEMBL10064609

SCHEMBL10064609

CC(C)(C)C(=O)N[C@@H](CCCNC(N)N)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 2/20 0.34
▸ GRIA1 P42261 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ PADI1 Q9ULC6 3/20 0.31
▸ PADI3 Q9ULW8 3/20 0.31
▸ PADI4 Q9UM07 3/20 0.31
▸ PADI2 Q9Y2J8 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PADI6 Q6TGC4 1/20 0.31
▸ ALB P02768 1/20 0.30

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
SCHEMBL16299579 0.87 NOD1 (0.32) NOD1SIRT5
SCHEMBL14295763 0.85 NOD1 (0.33) NOD1SIRT5
SCHEMBL8261480 0.82 SIRT5 (0.44) NOD1SIRT5PADI1PADI3PADI4
SCHEMBL24824249 0.79 HPGDS (0.42) GRIA1
SCHEMBL14951121 0.78 NOD1 (0.32) NOD1
SCHEMBL14951733 0.76 GNPAT (0.34) NOD1
SCHEMBL24826060 0.74 GRIA1 (0.40) GRIA1SIRT5ALB
SCHEMBL24433802 0.72 GRIA1 (0.35) GRIA1
SCHEMBL26781561 0.72 TGFBR1 (0.39) GRIA1
SCHEMBL24805405 0.72 C3AR1 (0.48) NOD1GRIA1

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-2012004270-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-12 — — WO disclosed
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