SCHEMBL8727138

SCHEMBL8727138

CC(C)(C)OC(=O)NCCc1ccc(OCP(=O)(O)CCCOCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CTSK P43235 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
PPARA Q07869 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NAMPT P43490 1/20 0.41
BCHE P06276 1/20 0.41
CNR2 P34972 1/20 0.41
IDO1 P14902 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 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
SCHEMBL8726826 0.84 PPARA (0.47) PPARAL3MBTL1PTPN1
SCHEMBL8726833 0.84 PPARA (0.47) PPARAL3MBTL1PTPN1
SCHEMBL8726816 0.84 PPARA (0.47) PPARAL3MBTL1PTPN1
SCHEMBL8758086 0.81 TSHR (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3004957 0.81 FFAR1 (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13886735 0.80 NPC1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8732784 0.79 POLB (0.47) L3MBTL1
SCHEMBL13886736 0.79 FFAR1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4446760 0.78 MEN1 (0.55) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8728998 0.78 CA2 (0.48) NPC1RAB9AKMT2AMAPTSMN1; SMN2

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