SCHEMBL8495348

SCHEMBL8495348

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.58
ALDH1A1 P00352 11/20 0.55
KDM4E B2RXH2 11/20 0.55
MAPT P10636 5/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
STAT1 P42224 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 5/20 0.50
HSD17B10 Q99714 5/20 0.50
GAA P10253 4/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
KMT2A Q03164 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
GLA P06280 2/20 0.49

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
SCHEMBL8491466 0.92 KDM4E (0.58) NQO1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8494077 0.89 NQO1 (0.61) NQO1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8496747 0.89 KDM4E (0.56) NQO1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8491058 0.89 KDM4E (0.57) NQO1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8494940 0.88 KDM4E (0.56) NQO1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8494714 0.88 KDM4E (0.56) NQO1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8085834 0.87 NQO1 (0.65) NQO1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8494299 0.87 KDM4E (0.54) NQO1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8494745 0.86 KDM4E (0.46) NQO1ALDH1A1KDM4EMAPTNPC1
SCHEMBL8490347 0.85 HSD17B3 (0.54) NQO1ALDH1A1KDM4EMAPTPOLB

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