SCHEMBL8409709

SCHEMBL8409709

CCOC(=O)c1ccc(OCc2ccccc2)c(C2OCCO2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
PPIA P62937 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
HIF1A Q16665 1/20 0.43
DRD3 P35462 1/20 0.42

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
SCHEMBL31056108 0.89 HPGD (0.50) HSD17B10PPIASMN1; SMN2NPC1RAB9A
SCHEMBL31056250 0.86 PTGER1 (0.48) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL4403626 0.81 SMN1; SMN2 (0.61) HSD17B10PPIASMN1; SMN2NPC1RAB9A
SCHEMBL13440181 0.80 FFAR4 (0.58) PPIASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL31056825 0.79 MCL1 (0.47) HSD17B10SMN1; SMN2MAPTPOLB
SCHEMBL31056326 0.79 RAB9A (0.44) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL1561028 0.78 EGFR (0.59) PPIASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4279981 0.78 HSD17B10 (0.61) HSD17B10PPIASMN1; SMN2NPC1RAB9A
SCHEMBL27365316 0.78 PDE4B (0.50) HSD17B10PPIASMN1; SMN2NPC1RAB9A
SCHEMBL11740137 0.77 MRGPRX4 (0.57) PPIASMN1; SMN2NPC1RAB9AHPGD

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