SCHEMBL8409386

SCHEMBL8409386

OCc1ccc(O)c(CCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.50
IGF1R P08069 1/20 0.50
TSHR P16473 1/20 0.46
TTR P02766 1/20 0.46
AKR1B1 P15121 1/20 0.46
FFAR1 O14842 1/20 0.46
EGFR P00533 1/20 0.45
LCK P06239 1/20 0.45
DAO P14920 1/20 0.45
IDH1 O75874 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
ADRB2 P07550 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
SCHEMBL9487127 0.90 ALOX15 (0.60) ALOX15IGF1RAKR1B1FFAR1EGFR
SCHEMBL5699002 0.84 TRPA1 (0.52) ALOX15IGF1RAKR1B1FFAR1EGFR
SCHEMBL11890536 0.83 ALOX15 (0.62) ALOX15IGF1RTSHRTTRIDH1
SCHEMBL9243499 0.81 BACE1 (0.50) ALOX15IGF1RAKR1B1FFAR1EGFR
SCHEMBL1426624 0.81 EGFR (0.60) ALOX15IGF1REGFRLCKHPGD
SCHEMBL9156902 0.80 BCL2 (0.58) ALOX15IGF1RFFAR1DAOKDM4E
SCHEMBL29138367 0.80 IGF1R (0.57) ALOX15IGF1RHPGDHSD17B10ALDH1A1
SCHEMBL8666716 0.78 BACE1 (0.56) ALOX15IGF1RFFAR1KDM4EHPGD
SCHEMBL574406 0.78 ALOX15 (0.71) ALOX15IGF1RAKR1B1HPGDHSD17B10
SCHEMBL8683200 0.78 HTT (0.53) ALOX15IGF1RKDM4EHPGDHSD17B10

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