SCHEMBL8495386

SCHEMBL8495386

CC(=O)Oc1ccc2c(O)c(O)c(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.61
ALDH1A1 P00352 8/20 0.61
GLA P06280 6/20 0.61
GAA P10253 5/20 0.61
CASP1 P29466 3/20 0.56
CASP7 P55210 3/20 0.56
HSD17B10 Q99714 3/20 0.56
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
NQO1 P15559 1/20 0.52
HPGD P15428 4/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 4/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.51
GAPDH P04406 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.48

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 0.88 KDM4E (0.58) KDM4EALDH1A1GLAGAACASP1
SCHEMBL8491466 0.88 KDM4E (0.58) KDM4EALDH1A1GLAGAACASP1
SCHEMBL8496747 0.86 KDM4E (0.56) KDM4EALDH1A1GLAGAACASP1
SCHEMBL8081672 0.86 KDM4E (0.56) KDM4EALDH1A1GLAGAACASP1
SCHEMBL8492659 0.85 KDM4E (0.62) KDM4EALDH1A1GLAGAACASP1
SCHEMBL8492717 0.84 KDM4E (0.56) KDM4EALDH1A1GLAGAACASP1
SCHEMBL8492972 0.84 KDM4E (0.56) KDM4EALDH1A1GLAGAACASP1
SCHEMBL6276172 0.83 NQO1 (0.73) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL8496602 0.82 KDM4E (0.61) KDM4EALDH1A1GLAGAACASP1
SCHEMBL26780129 0.81 PDE2A (0.65) KDM4EALDH1A1GLAGAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 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