SCHEMBL4602183

SCHEMBL4602183

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
HTR1A P08908 3/20 0.43
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1B P35368 3/20 0.43
SGMS2 Q8NHU3 2/20 0.43
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
RXRA P19793 1/20 0.41
BRD4 O60885 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
SCHEMBL4603320 0.89 MAPT (0.43) SGMS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL4602703 0.83 SGMS2 (0.43) SGMS2PTGER1PTGER4PTGER3PTGER2
SCHEMBL4601601 0.82 EGFR (0.47) EGFRMAPTKMT2ATHRBPTK2B
SCHEMBL4602976 0.82 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BSGMS2
SCHEMBL27849251 0.81 NPC1 (0.53) HTR1ASGMS2PTGER1PTGER4PTGER3
SCHEMBL4600130 0.81 EGFR (0.47) EGFRMEN1KMT2ATHRB
SCHEMBL4601033 0.80 EGFR (0.44) EGFRTHRB
SCHEMBL4601338 0.79 EGFR (0.42) EGFRKMT2ATHRB
SCHEMBL4600672 0.79 FABP3 (0.54) EGFRSGMS2PTGER1MAPTL3MBTL1
SCHEMBL6026935 0.79 NPC1 (0.51) SGMS2PTGER1PTGER4PTGER3PTGER2

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