SCHEMBL8406455

SCHEMBL8406455

CC(C)(C)C(=O)Oc1ccc(CCc2ccccc2)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.48
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ESR1 P03372 1/20 0.45
CYP19A1 P11511 1/20 0.45
ESR2 Q92731 1/20 0.45
TYR P14679 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
SCHEMBL19335474 0.81 ELANE (0.54) ELANE
SCHEMBL994167 0.78 ESR1 (0.65) POLBTDP1L3MBTL1ESR1CYP19A1
SCHEMBL8406433 0.77 ABCB1 (0.48) ELANEPOLBTDP1L3MBTL1
SCHEMBL70564 0.76 TYR (0.72) TDP1TYR
SCHEMBL29492432 0.76 TYR (0.72) TDP1TYR
SCHEMBL6061390 0.75 LTA4H (0.50) POLBESR1CYP19A1ESR2TYR
Water SCHEMBL28104515 0.74 TYR (0.69) TDP1TYR
SCHEMBL8408131 0.74 ELANE (0.47) ELANE
SCHEMBL18566937 0.73 ELANE (0.69) ELANECYP19A1
SCHEMBL19335346 0.72 ELANE (0.53) ELANEESR1ESR2

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