SCHEMBL4691006

SCHEMBL4691006

Cc1oc(OC(=O)O)cc1COc1ccc2c(c1)oc1ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.64
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 3/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 1/20 0.52
ACLY P53396 1/20 0.51
SLC26A4 O43511 2/20 0.49
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
ACHE P22303 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 3/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL4691034 0.89 PTGER4 (0.51) PTGER4MAPTKDM4EALDH1A1LMNA
SCHEMBL4690777 0.87 PTGER4 (0.51) PTGER4MAPTKDM4EALDH1A1SLC26A4
SCHEMBL3535902 0.85 PTGER4 (0.87) PTGER4MAPTKDM4EALDH1A1TDP1
SCHEMBL4688546 0.84 PTGER4 (0.50) PTGER4MAPTKDM4EALDH1A1LMNA
SCHEMBL4693788 0.81 PTGER4 (0.70) PTGER4
SCHEMBL4690870 0.80 MAOB (0.52) PTGER4TDP1LMNAACHEMAOB
SCHEMBL3535669 0.78 PTGER4 (1.00) PTGER4MAPTKDM4EALDH1A1TDP1
SCHEMBL4691618 0.77 PTGER4 (0.55) PTGER4MAPTALDH1A1POLBHPGD
SCHEMBL4694643 0.75 PTGER4 (0.58) PTGER4
SCHEMBL4692290 0.75 PTGER4 (0.71) PTGER4

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 claimed