SCHEMBL8406722

SCHEMBL8406722

O=C(O)c1ccc(COc2ccccc2CCc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 1/20 0.84
▸ PTGER4 P35408 1/20 0.84
▸ PTGER3 P43115 1/20 0.84
▸ PTGER2 P43116 1/20 0.84
▸ HTR1A P08908 2/20 0.73
▸ DRD2 P14416 2/20 0.73
▸ ABCB1 P08183 5/20 0.63
▸ RXRA P19793 7/20 0.62
▸ RXRB P28702 6/20 0.62
▸ RXRG P48443 5/20 0.62
▸ HPGD P15428 1/20 0.62
▸ FOLH1 Q04609 1/20 0.60
▸ NR4A1 P22736 1/20 0.58
▸ NR4A2 P43354 1/20 0.58
▸ NR4A3 Q92570 1/20 0.58
▸ ABCG2 Q9UNQ0 1/20 0.57
▸ SRD5A2 P31213 1/20 0.54

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 1.00 PTGER1 (0.84) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8319420 0.92 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8321768 0.92 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8324836 0.90 PTGER1 (0.92) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8406650 0.89 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8409744 0.89 HTR1A (0.69) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8408169 0.88 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL4000214 0.87 PTGER1 (0.72) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8406671 0.86 HTR1A (0.66) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL4183309 0.86 HTR1A (1.00) 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 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
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