SCHEMBL8409671

SCHEMBL8409671

COC(=O)c1ccc(CCOc2ccccc2CCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.51
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
CKS1B P61024 1/20 0.50
SKP2 Q13309 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL8406671 0.90 HTR1A (0.66) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8408169 0.86 PTGER1 (0.67) ABCB1PTGER1PTGER4PTGER3PTGER2
SCHEMBL8162236 0.86 ALDH1A1 (0.60) L3MBTL1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL10397850 0.85 ALDH1A1 (0.56) ABCB1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL11348442 0.84 HRH1 (0.49)
SCHEMBL1928912 0.83 TSHR (0.67) L3MBTL1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL7776446 0.83 MAPT (0.51) ABCB1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL14967138 0.82 L3MBTL1 (0.72) TDP1L3MBTL1ALDH1A1MGLLMAPT
SCHEMBL14967232 0.82 L3MBTL1 (0.53) TDP1L3MBTL1ALDH1A1TP53CYP1A2
SCHEMBL8327569 0.82 PTGER1 (0.73) ABCB1PTGER1PTGER4PTGER3PTGER2

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 3 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