Sugi Predict

Sugi Predict / Compounds / SCHEMBL6809100

SCHEMBL6809100

SCHEMBL6809100

O=C(O)CN(Cc1ccc(OCc2ccccn2)cc1)C(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRAS P01112 12/20 0.48
▸ SIRT2 Q8IXJ6 3/20 0.46
▸ FNTA P49354 1/20 0.45
▸ FNTB P49356 1/20 0.45
▸ MAOB P27338 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
SCHEMBL6809116 1.00 HRAS (0.48) HRASSIRT2FNTAFNTBMAOB
SCHEMBL6812628 0.94 HRAS (0.53) HRASSIRT2FNTAFNTB
SCHEMBL6812617 0.94 HRAS (0.53) HRASSIRT2FNTAFNTB
SCHEMBL6812555 0.94 HRAS (0.48) HRASSIRT2FNTAFNTB
SCHEMBL6812563 0.94 HRAS (0.48) HRASSIRT2FNTAFNTB
SCHEMBL6812843 0.88 SIRT2 (0.51) HRASSIRT2
SCHEMBL6812845 0.88 SIRT2 (0.51) HRASSIRT2
SCHEMBL6809104 0.88 HRAS (0.53) HRASSIRT2FNTAFNTB
SCHEMBL6809101 0.88 HRAS (0.53) HRASSIRT2FNTAFNTB
SCHEMBL6813557 0.82 SIRT2 (0.52) HRASSIRT2

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-0951471-B1 CYCLOALKYL INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER LAMBERT CO (US) 2004-03-17 — — EP disclosed
US-6281194-B1 E.G., (S)-(1-((4-BENZYLOXY-BENZYL)-(((1-PHENYL-CYCLOBUTYLMETHYL)-CAR BAMOYL)-METHYL)-CARBAMOYL)-2-(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMI C ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2001-08-28 — — US disclosed