SCHEMBL8409338

SCHEMBL8409338

CC(C)(C)OC(=O)c1ccc(COc2ccc(C(=O)O)cc2CCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.53
PTGER4 P35408 1/20 0.53
PTGER3 P43115 1/20 0.53
PTGER2 P43116 1/20 0.53
RXRA P19793 7/20 0.49
RXRB P28702 6/20 0.49
RXRG P48443 5/20 0.49
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
ABCB1 P08183 2/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MRGPRX4 Q96LA9 5/20 0.45
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 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
SCHEMBL8409639 0.91 HPGD (0.47) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8406650 0.87 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8406440 0.87 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8797758 0.81 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8409341 0.81 PTGER1 (0.49) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL14966328 0.80 HDAC1 (0.50) ABCG2
SCHEMBL8409609 0.80 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL8408175 0.80 HPGD (0.56) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL542660 0.80 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL2995379 0.79 BCHE (0.54) PTGER1PTGER4PTGER3PTGER2HTR1A

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 4 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
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