SCHEMBL8409744

SCHEMBL8409744

O=C(Cl)c1ccc(COc2ccccc2CCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.69
DRD2 P14416 4/20 0.69
PTGER1 P34995 1/20 0.67
PTGER4 P35408 1/20 0.67
PTGER3 P43115 1/20 0.67
PTGER2 P43116 1/20 0.67
ABCB1 P08183 9/20 0.60
ABCG2 Q9UNQ0 2/20 0.54
RXRA P19793 4/20 0.52
RXRB P28702 3/20 0.52
HPGD P15428 1/20 0.52
RXRG P48443 2/20 0.49
FOLH1 Q04609 2/20 0.48

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
SCHEMBL15726355 0.89 PTGER1 (0.84) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8406722 0.89 PTGER1 (0.84) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8406671 0.84 HTR1A (0.66) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL4183309 0.83 HTR1A (1.00) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL6258686 0.83 PTGER1 (0.50) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8319420 0.81 PTGER1 (1.00) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8321768 0.81 PTGER1 (0.95) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7702725 0.80 HDAC1 (0.60)
SCHEMBL8408143 0.80 SPHK2 (0.63) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL8324836 0.80 PTGER1 (0.92) HTR1ADRD2PTGER1PTGER4PTGER3

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