SCHEMBL6809813

SCHEMBL6809813

CC(C)(C)OC(=O)NCCN(CC(=O)NCC(C)(C)c1ccccc1)C(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRAS P01112 4/20 0.51
SIRT2 Q8IXJ6 12/20 0.44
NMBR P28336 1/20 0.41
SYK P43405 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 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
SCHEMBL7710727 1.00 HRAS (0.51) HRASSIRT2NMBRSYKFNTA
SCHEMBL6813733 0.92 SIRT2 (0.47) HRASSIRT2NMBRSYK
SCHEMBL6813730 0.92 SIRT2 (0.47) HRASSIRT2NMBRSYK
SCHEMBL7712921 0.90 SIRT2 (0.48) HRASSIRT2NMBRSYK
SCHEMBL6810651 0.90 SIRT2 (0.48) HRASSIRT2NMBRSYK
SCHEMBL6814437 0.86 HRAS (0.52) HRASSIRT2NMBR
SCHEMBL6813616 0.82 SIRT2 (0.49) HRASSIRT2NMBR
SCHEMBL6813614 0.82 SIRT2 (0.49) HRASSIRT2NMBR
SCHEMBL7860870 0.79 HRAS (0.59) HRASFNTAFNTB
SCHEMBL6812778 0.79 HRAS (0.59) HRASFNTAFNTB

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-1076663-B1 FUNCTIONALIZED ALKYL AND ALKENYL SIDE CHAIN DERIVATIVES OF GLYCINAMIDES AS FARNESYL TRANSFERASE INHIBITORS WARNER LAMBERT CO (US) 2004-02-18 EP disclosed