SCHEMBL4690776

SCHEMBL4690776

Cc1c(COc2ccc(-c3c(F)cccc3F)cc2)coc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 11/20 0.43
TTR P02766 1/20 0.43
ANO1 Q5XXA6 2/20 0.41
MAOB P27338 2/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.40
ALOX5AP P20292 1/20 0.40
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
DHODH Q02127 1/20 0.39

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
SCHEMBL3537801 0.77 PTGER4 (0.74) PTGER4
SCHEMBL4689944 0.74 PTGER4 (0.53) PTGER4
SCHEMBL4691571 0.68 PTGER4 (0.53) PTGER4POLBAPEX1TDP1L3MBTL1
SCHEMBL4694650 0.66 PTGER4 (0.52) PTGER4
SCHEMBL3764975 0.65 PTGER4 (0.64) PTGER4
SCHEMBL1721276 0.64 MAOB (0.55) PTGER4MAOBPARP15PARP14PARP10
SCHEMBL8435627 0.64 NR4A2 (0.63) MAOBALOX5PARP10
SCHEMBL1444784 0.63 MAOB (0.75) MAOBPARP15PARP14PARP10
SCHEMBL3541851 0.63 PTGER4 (0.82) PTGER4
SCHEMBL28752673 0.62 KMT2A (0.37) TP53L3MBTL1

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
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed