SCHEMBL8711997

SCHEMBL8711997

O=C(OCc1ccccc1)[C@@H](Cc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.44
PPARA Q07869 6/20 0.44
SRR Q9GZT4 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CTRB1 P17538 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
LTA4H P09960 1/20 0.41
LAP3 P28838 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
SCHEMBL8711993 1.00 PPARG (0.44) PPARGPPARASRRALDH1A1CTRB1
SCHEMBL7232459 0.94 PPARG (0.48) PPARGPPARACA12CA9LTA4H
SCHEMBL29097240 0.86 CA1 (0.42) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL29097239 0.86 CA1 (0.42) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL15619106 0.86 ALDH1A1 (0.41) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL5012826 0.86 BLM (0.41) PPARGPPARAALDH1A1TDP1MAPK1
SCHEMBL15627203 0.86 ALDH1A1 (0.41) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7375987 0.86 BLM (0.41) PPARGPPARAALDH1A1TDP1MAPK1
SCHEMBL7344531 0.86 BLM (0.41) PPARGPPARAALDH1A1TDP1MAPK1
SCHEMBL2943750 0.86 MEN1 (0.51) PPARGPPARASRRALDH1A1CTRB1

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-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