SCHEMBL6809102

SCHEMBL6809102

COc1ccc(CN(CC(=O)OC(C)(C)C)C(=O)C(Cc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 9/20 0.49
HRAS P01112 7/20 0.48
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42

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
SCHEMBL6809094 1.00 SIRT2 (0.49) SIRT2HRASFNTAFNTB
SCHEMBL6809101 0.90 HRAS (0.53) SIRT2HRASFNTAFNTB
SCHEMBL6809104 0.90 HRAS (0.53) SIRT2HRASFNTAFNTB
SCHEMBL6813614 0.88 SIRT2 (0.49) SIRT2HRAS
SCHEMBL6813616 0.88 SIRT2 (0.49) SIRT2HRAS
SCHEMBL6813557 0.88 SIRT2 (0.52) SIRT2HRAS
SCHEMBL6812563 0.86 HRAS (0.48) SIRT2HRASFNTAFNTB
SCHEMBL6812555 0.86 HRAS (0.48) SIRT2HRASFNTAFNTB
SCHEMBL6812628 0.86 HRAS (0.53) SIRT2HRASFNTAFNTB
SCHEMBL6812617 0.86 HRAS (0.53) SIRT2HRASFNTAFNTB

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
EP-0951471-B1 CYCLOALKYL INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER LAMBERT CO (US) 2004-03-17 EP disclosed