SCHEMBL8068262

SCHEMBL8068262

NC(=O)[C@@H](CCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)NCCc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
OPRK1 P41145 1/20 0.41
CTSL P07711 2/20 0.40
SIRT5 Q9NXA8 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
FOLH1 Q04609 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
CA1 P00915 1/20 0.38
TPSAB1 Q15661 1/20 0.38

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
Hydrochloric Acid SCHEMBL8072552 0.99 SIRT2 (0.42) SIRT2OPRK1CTSLSIRT5MMP2
Hydrochloric Acid SCHEMBL8069339 0.86 HTT (0.50) SIRT2CTSLMMP2MMP9KEAP1
SCHEMBL7600261 0.85 SIRT2 (0.44) SIRT2CTSLSIRT5MMP2MMP9
Hydrochloric Acid SCHEMBL7595781 0.84 SIRT2 (0.43) SIRT2CTSLSIRT5MMP2MMP9
SCHEMBL7318212 0.80 FOLH1 (0.58) SIRT2MMP2MMP9KEAP1NFE2L2
SCHEMBL7311020 0.80 FOLH1 (0.58) SIRT2MMP2MMP9KEAP1NFE2L2
SCHEMBL19013589 0.80 FOLH1 (0.55) SIRT2CTSLSIRT5MMP2MMP9
SCHEMBL21623619 0.80 FOLH1 (0.55) SIRT2CTSLSIRT5MMP2MMP9
SCHEMBL16869920 0.80 FOLH1 (0.55) SIRT2CTSLSIRT5MMP2MMP9
SCHEMBL8063017 0.79 NPY1R (0.37) CTSLFOLH1HTT

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
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 WO disclosed