SCHEMBL8726833

SCHEMBL8726833

CC(Cc1ccc(OC[P@](=O)(O)CCCOCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.47
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
PPARG P37231 1/20 0.43
BCL2 P10415 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PTPN1 P18031 2/20 0.42
CTSS P25774 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
ATM Q13315 1/20 0.40
REN P00797 1/20 0.40
ACACB O00763 1/20 0.40
ENPP2 Q13822 1/20 0.40
YAP1 P46937 2/20 0.40

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
SCHEMBL8726826 1.00 PPARA (0.47) PPARAITGB3ITGA2BPPARGBCL2
SCHEMBL8726816 1.00 PPARA (0.47) PPARAITGB3ITGA2BPPARGBCL2
SCHEMBL8727138 0.84 NPC1 (0.44) PPARAPTPN1L3MBTL1
SCHEMBL8727035 0.83 ACACB (0.46) ITGB3ITGA2BHDAC8ACACB
SCHEMBL19930027 0.81 BCL2 (0.59) PPARAITGB3ITGA2BPPARGBCL2
SCHEMBL12532786 0.81 BCL2 (0.59) PPARAITGB3ITGA2BPPARGBCL2
SCHEMBL8729688 0.81 MAOB (0.42) L3MBTL1ENPP2
SCHEMBL8729697 0.81 MAOB (0.42) L3MBTL1ENPP2
SCHEMBL8729694 0.81 MAOB (0.42) L3MBTL1ENPP2
SCHEMBL8729106 0.80 ADRB3 (0.49) ITGB3ITGA2BBCL2HDAC8PTPN1

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
US-5726165-A HYPOGLYCEMIC AGENTS; DIETETICS; GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-10 US disclosed