SCHEMBL8085834

SCHEMBL8085834

COc1ccc2c(OC)c(O)c(=O)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.65
KDM4E B2RXH2 9/20 0.62
ALDH1A1 P00352 8/20 0.62
MAPT P10636 6/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
POLB P06746 1/20 0.62
STAT1 P42224 1/20 0.62
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HPGD P15428 5/20 0.56
HSD17B10 Q99714 5/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 3/20 0.56
CYP3A4 P08684 3/20 0.56
KMT2A Q03164 3/20 0.56
TP53 P04637 2/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
CYP2D6 P10635 1/20 0.52

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
SCHEMBL8087605 0.88 NQO1 (0.69) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8496747 0.87 KDM4E (0.56) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8490472 0.87 NQO1 (0.58) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8495348 0.87 NQO1 (0.58) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8492386 0.87 KDM4E (0.56) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8493305 0.87 NQO1 (0.51) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL6276172 0.87 NQO1 (0.73) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8493212 0.86 KDM4E (0.61) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8081637 0.85 NQO1 (0.59) NQO1KDM4EALDH1A1MAPTNPC1
SCHEMBL8494704 0.82 NQO1 (0.55) NQO1KDM4EALDH1A1MAPTNPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684255-B1 7-Glycosyloxybenzopyran derivative and antiallergic agent containing the derivative as active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-10-11 EP disclosed
CN-1056150-C 3- or 4-glycosyloxybenzopyran derivative and antiallergic agent containing the derivative as active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-09-06 CN disclosed
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 EP disclosed
EP-0646591-B1 3- Or 4-glycosyloxybenzopyran derivative and antiallergic agent containing the derivative as active ingredient DAINIPPON INK & CHEMICALS (JP) 1996-07-31 EP disclosed
EP-0684255-A1 7-Glycosyloxybenzopyran derivative and antiallergic agent containing the derivative as active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-11-29 EP disclosed
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 US disclosed
EP-0646591-A1 3- Or 4-glycosyloxybenzopyran derivative and antiallergic agent containing the derivative as active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1995-04-05 EP disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 EP disclosed