SCHEMBL5813057

SCHEMBL5813057

COC(=O)[C@H](CCCN)NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
TLR2 O60603 2/20 0.41
FOLH1 Q04609 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
LNPEP Q9UIQ6 4/20 0.39
ERAP1 Q9NZ08 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ERAP2 Q6P179 4/20 0.39
GNPAT O15228 1/20 0.39
CNR2 P34972 1/20 0.38
ANPEP P15144 1/20 0.38
PAOX Q6QHF9 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5813054 1.00 SIRT6 (0.48) SIRT6SIRT1TLR2FOLH1ITGB3
SCHEMBL5494276 0.95 SIRT6 (0.54) SIRT6SIRT1TLR2FOLH1ITGB3
SCHEMBL2387748 0.95 SIRT6 (0.54) SIRT6SIRT1TLR2FOLH1ITGB3
Hydrochloric Acid SCHEMBL2122177 0.93 SIRT6 (0.52) SIRT6SIRT1TLR2FOLH1ITGB3
Hydrochloric Acid SCHEMBL2122175 0.93 SIRT6 (0.52) SIRT6SIRT1TLR2FOLH1ITGB3
SCHEMBL8234349 0.88 TRPV1 (0.43) SIRT6SIRT1FOLH1CHRM2CHRM4
SCHEMBL17378386 0.88 GNPAT (0.42) SIRT6SIRT1FOLH1CHRM2CHRM4
SCHEMBL27403409 0.87 SIRT6 (0.48) SIRT6SIRT1TLR2FOLH1ITGB3
SCHEMBL4727759 0.86 SIRT6 (0.46) SIRT6SIRT1TLR2FOLH1ITGB3
SCHEMBL5814130 0.86 SIRT6 (0.49) SIRT6SIRT1TLR2ITGB3ITGA2B

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
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