SCHEMBL6813614

SCHEMBL6813614

COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 13/20 0.49
NMBR P28336 1/20 0.43
HRAS P01112 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL6813616 1.00 SIRT2 (0.49) SIRT2NMBRHRASMEN1KMT2A
SCHEMBL6810651 0.90 SIRT2 (0.48) SIRT2NMBRHRAS
SCHEMBL7712921 0.90 SIRT2 (0.48) SIRT2NMBRHRAS
SCHEMBL6809094 0.88 SIRT2 (0.49) SIRT2HRAS
SCHEMBL6809102 0.88 SIRT2 (0.49) SIRT2HRAS
SCHEMBL6813733 0.85 SIRT2 (0.47) SIRT2NMBRHRAS
SCHEMBL6813730 0.85 SIRT2 (0.47) SIRT2NMBRHRAS
SCHEMBL6813557 0.84 SIRT2 (0.52) SIRT2NMBRHRAS
SCHEMBL6809104 0.83 HRAS (0.53) SIRT2HRAS
SCHEMBL6809101 0.83 HRAS (0.53) SIRT2HRAS

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-1076663-B1 FUNCTIONALIZED ALKYL AND ALKENYL SIDE CHAIN DERIVATIVES OF GLYCINAMIDES AS FARNESYL TRANSFERASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-18 EP disclosed
US-6369034-B1 FOR THERAPY OF CANCER, RESTENOSIS, AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-04-09 US disclosed