SCHEMBL8081672

SCHEMBL8081672

COc1c(O)c2ccc(OC(C)=O)cc2oc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 7/20 0.56
GLA P06280 5/20 0.56
GAA P10253 4/20 0.56
NQO1 P15559 2/20 0.54
HSD17B10 Q99714 3/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
POLB P06746 2/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 7/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
STAT1 P42224 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
GAPDH P04406 2/20 0.46

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
SCHEMBL8494030 0.92 KDM4E (0.58) KDM4EALDH1A1GLAGAANQO1
SCHEMBL8496747 0.89 KDM4E (0.56) KDM4EALDH1A1GLAGAANQO1
SCHEMBL8494077 0.89 NQO1 (0.61) KDM4EALDH1A1GLAGAANQO1
SCHEMBL8494026 0.89 NQO1 (0.54) KDM4EALDH1A1GLAGAANQO1
SCHEMBL8490143 0.88 KDM4E (0.57) KDM4EALDH1A1GLAGAANQO1
SCHEMBL8087605 0.87 NQO1 (0.69) KDM4EALDH1A1GAANQO1HSD17B10
SCHEMBL8492972 0.87 KDM4E (0.56) KDM4EALDH1A1GLAGAANQO1
SCHEMBL8495386 0.86 KDM4E (0.61) KDM4EALDH1A1GLAGAANQO1
SCHEMBL8493943 0.84 KDM4E (0.56) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL8493913 0.84 KDM4E (0.54) KDM4EALDH1A1GLAGAANQO1

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 6 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
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 EP disclosed
US-5580552-A A 2,3-DIHYDROXY,7-GLYCOSYLCHROMAN-2-ONE DERIVATIVE DAINIPPON INK & CHEMICALS INC. (JP) 1996-12-03 US 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-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 EP disclosed