SCHEMBL7496403

SCHEMBL7496403

CC(=O)Oc1oc2cccc(OC(C)=O)c2c(=O)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.51
KDM4E B2RXH2 6/20 0.47
MAPT P10636 5/20 0.47
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
HSD17B10 Q99714 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 3/20 0.41
BLM P54132 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41

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
SCHEMBL29036841 0.85 KDM4E (0.56) KDM4EMAPTHSD17B10NPC1RAB9A
SCHEMBL896579 0.78 MAOA (0.57) ADORA3KDM4EMAPTHSD17B10NPC1
SCHEMBL22445080 0.76 MAOA (0.68) ADORA3KDM4EMAPTHSD17B10NPC1
SCHEMBL2070375 0.76 ESR1 (0.45) ADORA3KDM4EMAPTHSD17B10RAB9A
SCHEMBL5084294 0.76 KDM4E (0.50) ADORA3KDM4EMAPTADORA2AADORA1
SCHEMBL7496402 0.75 KDM4E (0.48) KDM4EMAPTHSD17B10NPC1RAB9A
SCHEMBL28632938 0.75 CYP3A4 (0.71) ADORA3KDM4EMAPTADORA2AADORA1
SCHEMBL27696055 0.75 ADORA3 (0.50) ADORA3KDM4EMAPTADORA2AADORA1
SCHEMBL10448806 0.75 KDM4E (0.58) ADORA3KDM4EMAPTADORA2AADORA1
SCHEMBL29036855 0.74 KDM4E (0.66) KDM4EMAPTHSD17B10NPC1RAB9A

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-1153020-A4 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RES PTY LTD (AU) 2002-08-21 EP claimed
CN-1340048-A Production of isoflavone derivatives NOVOGEN RES PTY LTD (AU) 2002-03-13 CN claimed
EP-1153020-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES Novogen Research Pty. Ltd. (AU) 2001-11-14 EP claimed
WO-2000049009-A1 PRODUCTION OF ISOFLAVONE DERIVATIVES NOVOGEN RESEARCH PTY. LTD. (AU) 2000-08-24 WO claimed
CN-100564370-C The preparation of isoflavone derivative NOVOGEN RES PTY LTD (AU) 2009-12-02 CN disclosed
CN-1680358-A Composition concerned with isoflavone and the similar and therapeutical method NOVOGEN RES PTY LTD (AU) 2005-10-12 CN disclosed
CN-1372555-A Compositions and methods of treatment involving isoflavones and analogs thereof NOVOGEN RES PTY LTD (AU) 2002-10-02 CN disclosed
CN-1340048-A Production of isoflavone derivatives NOVOGEN RES PTY LTD (AU) 2002-03-13 CN disclosed