SCHEMBL8409062

SCHEMBL8409062

CSc1cccc(CCc2ccccc2)c1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.53
PTGER2 P43116 5/20 0.53
PTGER3 P43115 3/20 0.53
PTGER1 P34995 2/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
RXRA P19793 5/20 0.46
RXRB P28702 4/20 0.46
RXRG P48443 3/20 0.46
FOLH1 Q04609 1/20 0.46
SRD5A2 P31213 2/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.43
PLA2G4B P0C869 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 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
SCHEMBL8409358 0.90 HPGD (0.51) PTGER4PTGER2PTGER3PTGER1MEN1
SCHEMBL8406712 0.86 PTGER4 (0.53) PTGER4PTGER2PTGER3PTGER1MEN1
SCHEMBL8409036 0.83 PTGER4 (0.57) PTGER4PTGER2PTGER3PTGER1MEN1
SCHEMBL8797537 0.82 PTGER4 (0.54) PTGER4PTGER2PTGER3PTGER1MEN1
SCHEMBL8406625 0.82 KMT2A (0.70) PTGER4PTGER2PTGER3PTGER1MEN1
SCHEMBL8406342 0.81 PTGER4 (0.56) PTGER4PTGER2PTGER3PTGER1MEN1
SCHEMBL8798890 0.81 PTGER4 (0.56) PTGER4PTGER2PTGER3PTGER1MEN1
SCHEMBL8408181 0.81 PTGER4 (0.56) PTGER4PTGER2PTGER3PTGER1MEN1
SCHEMBL6269178 0.81 PTGER1 (0.62) PTGER4PTGER2PTGER3PTGER1MEN1
SCHEMBL8409959 0.81 PTGER4 (0.53) PTGER4PTGER2PTGER3PTGER1MEN1

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