Sugi Predict

Sugi Predict / Compounds / SCHEMBL6813733

SCHEMBL6813733

SCHEMBL6813733

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.47
▸ NMBR P28336 1/20 0.44
▸ SYK P43405 1/20 0.42
▸ HRAS P01112 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 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
SCHEMBL6813730 1.00 SIRT2 (0.47) SIRT2NMBRSYKHRASMAPT
SCHEMBL6810651 0.94 SIRT2 (0.48) SIRT2NMBRSYKHRASMAPT
SCHEMBL7712921 0.94 SIRT2 (0.48) SIRT2NMBRSYKHRASMAPT
SCHEMBL6809813 0.92 HRAS (0.51) SIRT2NMBRSYKHRAS
SCHEMBL7710727 0.92 HRAS (0.51) SIRT2NMBRSYKHRAS
SCHEMBL6813616 0.85 SIRT2 (0.49) SIRT2NMBRHRAS
SCHEMBL6813614 0.85 SIRT2 (0.49) SIRT2NMBRHRAS
SCHEMBL6812843 0.83 SIRT2 (0.51) SIRT2NMBRHRAS
SCHEMBL6812845 0.83 SIRT2 (0.51) SIRT2NMBRHRAS
SCHEMBL6812628 0.82 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