SCHEMBL5807639

SCHEMBL5807639

CCCOC(=O)C(CCCNC(=N)N)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ TLR2 O60603 2/20 0.37
▸ NPY4R P50391 6/20 0.36
▸ NPY1R P25929 4/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ALB P02768 1/20 0.34
▸ ACHE P22303 3/20 0.34
▸ NPY2R P49146 3/20 0.33
▸ NPY5R Q15761 3/20 0.33
▸ PLA2G2C Q5R387 1/20 0.33
▸ TSHR P16473 1/20 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
SCHEMBL5807641 1.00 SIRT6 (0.44) SIRT6SIRT1TLR2NPY4RNPY1R
SCHEMBL16905640 0.89 SIRT6 (0.39) SIRT6SIRT1TLR2NPY4RNPY1R
SCHEMBL5812127 0.89 SIRT6 (0.43) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5812133 0.89 SIRT6 (0.43) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5809001 0.89 SIRT6 (0.46) SIRT6SIRT1TLR2SIRT5MEN1
SCHEMBL2390736 0.86 NPY4R (0.44) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL5807981 0.86 NPY4R (0.44) SIRT6SIRT1NPY4RNPY1RSIRT5
Hydrochloric Acid SCHEMBL11506342 0.85 NPY4R (0.44) SIRT6SIRT1NPY4RNPY1RSIRT5
SCHEMBL360623 0.84 NOD1 (0.54) NPY4RNPY1RKMT2ANOD1NPY2R
SCHEMBL28406173 0.83 SIRT6 (0.40) SIRT6SIRT1NPY4RNPY1RSIRT5

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
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 — — WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 — — WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US disclosed
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