SCHEMBL5809001

SCHEMBL5809001

CCCOC(=O)[C@H](CCCNC(N)=O)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ TLR2 O60603 2/20 0.38
▸ C3AR1 Q16581 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ACHE P22303 7/20 0.36
▸ ALB P02768 1/20 0.36
▸ PLA2G2C Q5R387 1/20 0.35
▸ CAD P27708 1/20 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
SCHEMBL5807639 0.89 SIRT6 (0.44) SIRT6SIRT1TLR2SIRT5MEN1
SCHEMBL5807641 0.89 SIRT6 (0.44) SIRT6SIRT1TLR2SIRT5MEN1
SCHEMBL5813465 0.88 CAD (0.45) SIRT6SIRT1C3AR1SIRT5MEN1
SCHEMBL5810079 0.85 SIRT1 (0.43) SIRT6SIRT1C3AR1SIRT5MEN1
SCHEMBL6001433 0.82 SIRT6 (0.50) SIRT6SIRT1TLR2KMT2ANOD1
SCHEMBL6001429 0.82 SIRT6 (0.50) SIRT6SIRT1TLR2KMT2ANOD1
SCHEMBL6001275 0.81 SIRT6 (0.41) SIRT6SIRT1TLR2C3AR1SIRT5
SCHEMBL5808679 0.81 SIRT6 (0.56) SIRT6SIRT1TLR2NOD1PLA2G2C
SCHEMBL5808675 0.81 SIRT6 (0.56) SIRT6SIRT1TLR2NOD1PLA2G2C
SCHEMBL12961585 0.80 SIRT5 (0.51) SIRT6SIRT1C3AR1SIRT5CHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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