SCHEMBL4603320

SCHEMBL4603320

C=CC(=O)Oc1c(OCOC)cccc1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
RXRA P19793 1/20 0.42
BRD4 O60885 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
SGMS2 Q8NHU3 2/20 0.41
PTPN1 P18031 1/20 0.41
ATM Q13315 1/20 0.41
PTGER1 P34995 2/20 0.41
LIPE Q05469 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EDNRA P25101 1/20 0.40
NPC1 O15118 1/20 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
SCHEMBL4602183 0.89 EGFR (0.47) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL4602703 0.84 SGMS2 (0.43) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL4602976 0.83 HTR1A (0.50) MAPTMAPK1TDP1L3MBTL1BRD4
SCHEMBL27849251 0.82 NPC1 (0.53) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL6026935 0.80 NPC1 (0.51) MAPTMAPK1TDP1L3MBTL1RXRA
SCHEMBL23041327 0.79 MAPT (0.58) MAPTMAPK1TDP1L3MBTL1LIPE
SCHEMBL27866136 0.79 RXRA (0.53) MRGPRX4RXRASGMS2PTPN1PTGER1
SCHEMBL28414248 0.79 HDAC8 (0.48) MAPTMRGPRX4RXRAHDAC8MEN1
SCHEMBL6202378 0.76 MAPT (0.60) MAPTMAPK1TDP1L3MBTL1MRGPRX4
SCHEMBL28208251 0.75 HDAC8 (0.49) MAPTMRGPRX4RXRAHDAC8NPC1

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-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed