SCHEMBL4688546

SCHEMBL4688546

O=C(O)Oc1cc(COc2ccc3c(c2)oc2ccccc23)c(C(F)(F)F)o1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.50
LMNA P02545 2/20 0.46
AR P10275 4/20 0.45
PPARD Q03181 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAOB P27338 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
AGER Q15109 1/20 0.41
ACHE P22303 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
SCHEMBL4691618 0.94 PTGER4 (0.55) PTGER4LMNAPPARDMAPTALDH1A1
SCHEMBL3534956 0.86 PTGER4 (0.69) PTGER4LMNAARPPARDMAPT
SCHEMBL4691006 0.84 PTGER4 (0.64) PTGER4LMNAMAPTKDM4EALDH1A1
SCHEMBL4690516 0.82 PTGER4 (0.72) PTGER4PPARD
SCHEMBL4690777 0.82 PTGER4 (0.51) PTGER4LMNAMAPTKDM4EALDH1A1
SCHEMBL4693822 0.80 PTGER4 (0.60) PTGER4
SCHEMBL3533979 0.80 PTGER4 (0.71) PTGER4LMNAMAPTALDH1A1MEN1
SCHEMBL4690870 0.77 MAOB (0.52) PTGER4LMNAMAOBAKR1C3AKR1C2
SCHEMBL4693627 0.76 PTGER4 (0.60) PTGER4
SCHEMBL4691034 0.75 PTGER4 (0.51) PTGER4LMNAMAPTKDM4EALDH1A1

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