SCHEMBL6515182

SCHEMBL6515182

O=C(O)[C@@H](CCc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.50
PPARA Q07869 7/20 0.50
BLM P54132 1/20 0.48
SRR Q9GZT4 2/20 0.41
MMP7 P09237 1/20 0.41

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
SCHEMBL7425913 1.00 PPARG (0.50) PPARGPPARABLMSRRMMP7
SCHEMBL6903818 0.88 PPARG (0.52) PPARGPPARABLMSRR
SCHEMBL8142297 0.86 MEN1 (0.43) PPARGPPARABLM
SCHEMBL7344531 0.86 BLM (0.41) PPARGPPARABLM
SCHEMBL5012826 0.86 BLM (0.41) PPARGPPARABLM
SCHEMBL7728941 0.86 MEN1 (0.43) PPARGPPARABLM
SCHEMBL7375987 0.86 BLM (0.41) PPARGPPARABLM
SCHEMBL7726567 0.86 MEN1 (0.43) PPARGPPARABLM
SCHEMBL1858577 0.85 SMN1; SMN2 (0.46) PPARGPPARABLM
SCHEMBL9773201 0.85 SMN1; SMN2 (0.46) PPARGPPARABLM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585744-A Process for the preparation of benazepril RANBAXY LAB LTD (IN) 2005-02-23 CN disclosed
WO-2005003134-A1 A NOVEL PROCESS FOR THE PREPARATION OF CILAZAPRIL HETERO DRUGS LIMITED (IN) 2005-01-13 WO disclosed
EP-0836610-A1 DIGLYCOSYLATED 1,2-DIOLS AS MIMETICS OF SIALYL-LEWIS X AND SIALYL-LEWIS A Novartis AG (CH) 1998-04-22 EP disclosed
WO-1997001569-A1 DIGLYCOSYLATED 1,2-DIOLS AS MIMETICS OF SIALYL-LEWIS X AND SIALYL-LEWIS A NOVARTIS AG (CH) 1997-01-16 WO disclosed
EP-0094095-B1 BICYCLIC CARBOXYLIC ACIDS AND THEIR ALKYL AND ARALKYL ESTERS F. HOFFMANN-LA ROCHE AG (CH) 1990-09-19 EP disclosed
EP-0094095-A2 Bicyclic carboxylic acids and their alkyl and aralkyl esters F. HOFFMANN-LA ROCHE AG (CH) 1983-11-16 EP disclosed