SCHEMBL12874103

SCHEMBL12874103

CNCCCCC(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.65
SIRT1 Q96EB6 5/20 0.65
FOLH1 Q04609 3/20 0.63
ITGB3 P05106 2/20 0.60
ITGAV P06756 2/20 0.60
TGM2 P21980 5/20 0.59
SIRT3 Q9NTG7 3/20 0.55
CPB1 P15086 1/20 0.55
CPB2 Q96IY4 1/20 0.55
CTSL P07711 1/20 0.55
CTSS P25774 1/20 0.55
SIRT5 Q9NXA8 1/20 0.54

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
SCHEMBL12247715 1.00 SIRT2 (0.65) SIRT2SIRT1FOLH1ITGB3ITGAV
Hydrochloric Acid SCHEMBL1162427 0.99 SIRT2 (0.64) SIRT2SIRT1FOLH1ITGB3ITGAV
SCHEMBL1162281 0.96 SIRT2 (0.60) SIRT2SIRT1FOLH1ITGB3ITGAV
SCHEMBL20272626 0.95 SIRT2 (0.60) SIRT2SIRT1FOLH1ITGB3ITGAV
Hydrochloric Acid SCHEMBL1162135 0.95 SIRT2 (0.59) SIRT2SIRT1FOLH1ITGB3ITGAV
SCHEMBL21019116 0.91 FOLH1 (0.66) SIRT2SIRT1FOLH1ITGB3ITGAV
SCHEMBL28832879 0.91 SIRT2 (0.56) SIRT2SIRT1FOLH1ITGB3CTSL
SCHEMBL8387978 0.91 FOLH1 (0.65) SIRT2SIRT1FOLH1ITGB3ITGAV
Hydrochloric Acid SCHEMBL1161917 0.90 SIRT2 (0.55) SIRT2SIRT1FOLH1ITGB3TGM2
SCHEMBL12091751 0.88 FOLH1 (0.64) SIRT2SIRT1FOLH1ITGB3ITGAV

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-2011014923-A1 MOLECULARLY IMPRINTED POLYMERS, METHODS FOR THEIR PRODUCTION AND USES THEREOF MONASH UNIVERSITY (AU) 2011-02-10 WO disclosed