SCHEMBL8428534

SCHEMBL8428534

CC(C)(C)OC(=O)C1(CO)C=c2ccccc2=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.36
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
BCHE P06276 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
AKT1 P31749 2/20 0.31
CTSL P07711 2/20 0.30
CTSB P07858 2/20 0.30
CTSS P25774 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28526117 0.75 MEN1 (0.35) ABCB1MEN1NPC1GAARAB9A
SCHEMBL15641371 0.75 TSHR (0.31) MEN1NPC1GAARAB9AKMT2A
SCHEMBL7271512 0.70 MEN1 (0.39) MEN1NPC1GAARAB9AKMT2A
SCHEMBL10783455 0.67 L3MBTL1 (0.32)
SCHEMBL1847048 0.67 PKM (0.37) KMT2ACYP2C19HIF1AALDH1A1TSHR
SCHEMBL28525378 0.67 MAPK10 (0.36) MEN1NPC1GAARAB9AKMT2A
SCHEMBL28532959 0.66 MAPK10 (0.36) MEN1NPC1GAARAB9AKMT2A
SCHEMBL7239167 0.65
SCHEMBL2763713 0.64 ABCB1 (0.36) ABCB1MEN1KMT2ACA12CA1
SCHEMBL2763715 0.64 ABCB1 (0.36) ABCB1MEN1KMT2ACA12CA1

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-5859007-A TREATMENT OF DIABETES, OBESITY GLAXO WELLCOME INC. (US) 1999-01-12 US disclosed