SCHEMBL8409384

SCHEMBL8409384

O=C(O)c1ccc(COc2cc(Br)ccc2CCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.62
PTGER4 P35408 1/20 0.62
PTGER3 P43115 1/20 0.62
PTGER2 P43116 1/20 0.62
RXRA P19793 8/20 0.53
RXRB P28702 7/20 0.53
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
RXRG P48443 5/20 0.51
HPGD P15428 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
FOLH1 Q04609 2/20 0.48
CYP1A2 P05177 1/20 0.47
SRD5A2 P31213 1/20 0.47

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
SCHEMBL8319623 0.93 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8408122 0.90 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8408183 0.85 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8409760 0.85 MRGPRX4 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8406722 0.84 PTGER1 (0.84) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL15726355 0.84 PTGER1 (0.84) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL27720324 0.82 POLB (0.49) PTGER4PTGER2RXRARXRB
SCHEMBL8406650 0.82 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8409637 0.81 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8322908 0.80 PTGER4 (0.47) PTGER1PTGER4PTGER3PTGER2RXRA

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 7 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 claimed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP claimed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO claimed
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
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO disclosed