SCHEMBL4690777

SCHEMBL4690777

CC(C)c1oc(OC(=O)O)cc1COc1ccc2c(c1)oc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.51
LMNA P02545 2/20 0.46
MAOB P27338 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
ACHE P22303 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC26A4 O43511 1/20 0.43
HCRTR1 O43613 1/20 0.41
MAOA P21397 1/20 0.41
CYP1A2 P05177 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
SCHEMBL4691006 0.87 PTGER4 (0.64) PTGER4LMNAMAOBKDM4EALDH1A1
SCHEMBL3534869 0.86 PTGER4 (0.68) PTGER4LMNAMAOBKDM4EALDH1A1
SCHEMBL4688546 0.82 PTGER4 (0.50) PTGER4LMNAMAOBKDM4EALDH1A1
SCHEMBL4691616 0.82 PTGER4 (0.72) PTGER4MAPTSMN1; SMN2
SCHEMBL4691034 0.78 PTGER4 (0.51) PTGER4LMNAKDM4EALDH1A1MAPT
SCHEMBL4690870 0.78 MAOB (0.52) PTGER4LMNAMAOBAKR1C3AKR1C2
SCHEMBL4691618 0.75 PTGER4 (0.55) PTGER4LMNAALDH1A1MAPTNPC1
SCHEMBL3535902 0.74 PTGER4 (0.87) PTGER4KDM4EALDH1A1MAPTNPC1
SCHEMBL3534753 0.71 PTGER4 (0.63) PTGER4LMNAMAOBKDM4EALDH1A1
SCHEMBL4688386 0.71 LMNA (0.57) PTGER4LMNAMAOBALDH1A1MAPT

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