SCHEMBL7717537

SCHEMBL7717537

CC(C)(C)OC(=O)N(CCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)[C@H]1CCN(c2cccc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc23)C1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.35
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL7717539 1.00 SIRT2 (0.35) SIRT2MMP1MMP2MMP9ADAM17
SCHEMBL7718984 0.82 SIRT2 (0.34) SIRT2
SCHEMBL7718980 0.82 SIRT2 (0.34) SIRT2
SCHEMBL7717495 0.81 SIRT2 (0.36) SIRT2
SCHEMBL7717491 0.81 SIRT2 (0.36) SIRT2
SCHEMBL7714044 0.79 SIRT2 (0.34) SIRT2
SCHEMBL7714045 0.79 SIRT2 (0.34) SIRT2
SCHEMBL7169453 0.79 SIRT2 (0.34) SIRT2
SCHEMBL7714912 0.76
SCHEMBL7719423 0.76 FNTA (0.38)

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed