SCHEMBL5813465

SCHEMBL5813465

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CAD P27708 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ C3AR1 Q16581 1/20 0.39
▸ NOD1 Q9Y239 3/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ PPID Q08752 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.35

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
SCHEMBL5366976 0.89 SIRT6 (0.43) CADSIRT6SIRT1KMT2APOLB
SCHEMBL5812133 0.88 SIRT6 (0.43) CADSIRT6SIRT1KMT2APOLB
SCHEMBL5809001 0.88 SIRT6 (0.46) CADSIRT6SIRT1KMT2AC3AR1
SCHEMBL5812127 0.88 SIRT6 (0.43) CADSIRT6SIRT1KMT2APOLB
SCHEMBL5810079 0.88 SIRT1 (0.43) SIRT6SIRT1KMT2AC3AR1SIRT5
SCHEMBL6001275 0.84 SIRT6 (0.41) SIRT6SIRT1KMT2AC3AR1SIRT5
SCHEMBL12961585 0.82 SIRT5 (0.51) SIRT6SIRT1C3AR1SIRT5CHRM2
SCHEMBL5814130 0.81 SIRT6 (0.49) CADSIRT6SIRT1KMT2APOLB
SCHEMBL5814126 0.81 SIRT6 (0.49) CADSIRT6SIRT1KMT2APOLB
SCHEMBL468875 0.81 FOLH1 (0.51) SIRT6SIRT1KMT2AC3AR1NOD1

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 3 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
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US disclosed
Send feedback