SCHEMBL4690870

SCHEMBL4690870

O=C(O)Oc1cc(COc2ccc3c(c2)oc2ccccc23)co1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
LMNA P02545 1/20 0.48
PTGER4 P35408 2/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ACHE P22303 1/20 0.46
MAOA P21397 2/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43

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
SCHEMBL4688386 0.93 LMNA (0.57) MAOBLMNAPTGER4MAOACASP3
SCHEMBL3534753 0.87 PTGER4 (0.63) MAOBLMNAPTGER4AKR1C3AKR1C2
SCHEMBL3538811 0.80 PTGER4 (0.65) MAOBLMNAPTGER4MAOACASP3
SCHEMBL4691006 0.80 PTGER4 (0.64) MAOBLMNAPTGER4AKR1C3AKR1C2
SCHEMBL4686959 0.79 PTGER4 (0.73) PTGER4
SCHEMBL4690777 0.78 PTGER4 (0.51) MAOBLMNAPTGER4AKR1C3AKR1C2
SCHEMBL4688546 0.77 PTGER4 (0.50) MAOBLMNAPTGER4AKR1C3AKR1C2
SCHEMBL4691034 0.73 PTGER4 (0.51) LMNAPTGER4AKR1C3AKR1C2AKR1C1
SCHEMBL4691702 0.72 PTGER4 (0.59) PTGER4NPC1RAB9ATDP1
SCHEMBL11716004 0.71 MAOB (0.59) MAOBACHEMAOANPC1CASP3

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