SCHEMBL8409733

SCHEMBL8409733

CCc1ccccc1-c1ccccc1OCc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.53
PTGER1 P34995 6/20 0.51
RXRA P19793 2/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
PPARA Q07869 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
MAOB P27338 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
SCHEMBL8409636 0.83 MAOB (0.41) MCL1PTGER1PPARAMAOB
SCHEMBL8406725 0.81 RXRA (0.70) PTGER1RXRARXRBRXRGPTGER4
SCHEMBL8409730 0.80 HTR1A (0.60) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL9417935 0.78 PDE5A (0.60) MAOB
SCHEMBL8318934 0.78 HTR1A (0.60) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8409884 0.78 RXRA (0.49) PTGER1RXRA
SCHEMBL31482082 0.76 KMT2A (0.54) MCL1PTGER1RXRARXRBRXRG
SCHEMBL12842098 0.76 MAOB (0.57) MCL1MAOB
SCHEMBL8319789 0.76 PTGER1 (0.67) MCL1PTGER1PPARAPTGER4PTGER3
SCHEMBL8409837 0.75 MRGPRX4 (0.52) PTGER1RXRAMRGPRX4

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