SCHEMBL8409730

SCHEMBL8409730

O=C(O)c1ccc(COc2ccccc2CCc2ccccc2)cc1O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.60
DRD2 P14416 5/20 0.60
ABCB1 P08183 13/20 0.57
ABCG2 Q9UNQ0 2/20 0.57
PTGER1 P34995 1/20 0.56
PTGER4 P35408 1/20 0.56
PTGER3 P43115 1/20 0.56
PTGER2 P43116 1/20 0.56
MCL1 Q07820 1/20 0.49
FOLH1 Q04609 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
SCHEMBL8318934 0.95 HTR1A (0.60) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL8319789 0.88 PTGER1 (0.67) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL6261880 0.83 PPARA (0.55) MCL1
SCHEMBL8409069 0.83 ABCB1 (0.59) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL8319729 0.83 ABCB1 (0.56) HTR1ADRD2ABCB1ABCG2PTGER1
SCHEMBL8321056 0.82 FOLH1 (0.51) PTGER1FOLH1
SCHEMBL8326478 0.82 PTGER1 (0.57) HTR1ADRD2ABCB1PTGER1PTGER4
SCHEMBL8406405 0.82 THRA (0.43) FOLH1
SCHEMBL8319605 0.80 MTNR1A (0.58) HTR1ADRD2ABCB1
SCHEMBL8409733 0.80 MCL1 (0.53) PTGER1PTGER4PTGER3PTGER2MCL1

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