SCHEMBL8409609

SCHEMBL8409609

Cc1ccc(OCc2ccc(C(=O)O)cc2)c(CCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.62
PTGER4 P35408 3/20 0.62
PTGER3 P43115 3/20 0.62
PTGER2 P43116 3/20 0.62
RXRA P19793 6/20 0.58
RXRB P28702 5/20 0.58
RXRG P48443 4/20 0.58
MRGPRX4 Q96LA9 3/20 0.55
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HPGD P15428 1/20 0.51
FFAR4 Q5NUL3 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
ABCB1 P08183 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL8408183 0.90 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8406650 0.90 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL12707582 0.88 HTR1A (0.65) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8406440 0.87 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8797758 0.86 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8406718 0.85 ABCB1 (0.63) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8408122 0.85 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8321739 0.85 MRGPRX4 (0.66) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8409624 0.85 MRGPRX4 (0.66) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8409245 0.84 PTGER1 (0.58) 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