SCHEMBL8406441

SCHEMBL8406441

O=C(O)c1ccc(OCc2ccccc2)c(C=Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.57
PTGER1 P34995 3/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
HPGD P15428 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PSMD14 O00487 1/20 0.48
MAPT P10636 1/20 0.48
CRHBP P24387 1/20 0.48
PPARG P37231 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL8408179 0.87 HDAC1 (0.53) GCKPTGER1PTGER4PTGER3PTGER2
SCHEMBL15726358 0.86 MRGPRX4 (0.60) GCKPTGER1KMT2AHPGDKDM4E
SCHEMBL8406717 0.85 GCK (0.49) GCKPTGER1PTGER4PTGER3PTGER2
SCHEMBL7774919 0.85 PTGER1 (0.64) PTGER1PTGER4PTGER3PTGER2NR4A2
SCHEMBL9082648 0.85 NR4A2 (0.54) GCKPTGER1NR4A2NR4A1NR4A3
SCHEMBL8406617 0.84 HPGD (0.53) GCKPTGER1PTGER4PTGER3PTGER2
SCHEMBL4775955 0.84 GCK (0.55) GCKPTGER1PTGER4PTGER3PTGER2
SCHEMBL4772302 0.84 GCK (0.55) GCKPTGER1PTGER4PTGER3PTGER2
SCHEMBL1600077 0.79 MRGPRX4 (0.62) PTGER1NR4A2NR4A1NR4A3KMT2A
SCHEMBL29556736 0.79 MRGPRX4 (0.62) PTGER1NR4A2NR4A1NR4A3KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed