SCHEMBL4691702

SCHEMBL4691702

COc1ccc(-c2ccc(OCc3coc(OC(=O)O)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.59
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
FFAR1 O14842 2/20 0.46
PPARD Q03181 2/20 0.45
NR4A2 P43354 1/20 0.44
PLA2G4B P0C869 1/20 0.43
ADAMTS4 O75173 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4686959 0.90 PTGER4 (0.73) PTGER4FFAR1PPARDNR4A2
SCHEMBL3542072 0.85 PTGER4 (0.80) PTGER4RAB9ASMN1; SMN2NPC1POLB
SCHEMBL4687633 0.85 PTGER4 (0.56) PTGER4RAB9AFFAR1ADAMTS4
SCHEMBL4692290 0.77 PTGER4 (0.71) PTGER4
SCHEMBL3535821 0.74 PTGER4 (1.00) PTGER4MRGPRX4FFAR1PPARDNR4A2
SCHEMBL4693627 0.73 PTGER4 (0.60) PTGER4RAB9ANPC1POLBAPEX1
SCHEMBL4688386 0.72 LMNA (0.57) PTGER4PKMRXFP1L3MBTL1ALDH1A1
SCHEMBL4691574 0.71 PTGER4 (0.47) PTGER4RAB9ASMN1; SMN2NPC1POLB
SCHEMBL3537874 0.70 PTGER4 (0.76) PTGER4RAB9AFFAR1ADAMTS4
SCHEMBL6223461 0.70 ESR2 (0.56) RAB9ASMN1; SMN2NPC1TP53NR4A2

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