SCHEMBL3421118

SCHEMBL3421118

O=C(O)Cc1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.62
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
CYP3A4 P08684 4/20 0.56
HSD17B10 Q99714 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
CASP1 P29466 2/20 0.56
CASP7 P55210 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
HPGD P15428 2/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 1/20 0.56
CYP2D6 P10635 1/20 0.56
ESR1 P03372 4/20 0.55
ESR2 Q92731 2/20 0.54
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53

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
SCHEMBL7953560 0.83 PPARG (0.75) PPARGKDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL3595775 0.82 MEN1 (0.59) PPARGKDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL2181592 0.81 PPARG (0.81) PPARGKDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL14185242 0.80 PPARG (0.65) PPARGKDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL2182484 0.79 PPARG (0.91) PPARGKDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL8484064 0.79 PPARG (0.60) PPARGKDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL365536 0.78 ESR1 (0.65) PPARGKDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL5488938 0.78 PPARG (0.59) PPARGKDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL17159756 0.78 PPARG (0.62) PPARGKDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL2181196 0.78 KDM4E (0.72) KDM4EALDH1A1CYP3A4HSD17B10MEN1

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
WO-2010032248-A2 MULTIFUNCTIONAL ALBUMIN CONJUGATES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-03-25 WO claimed
EP-1484966-A4 DERIVATIVES OF ISOFLAVONES YEDA RES & DEV (IL) 2006-04-05 EP claimed
EP-1484966-A2 DERIVATIVES OF ISOFLAVONES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-12-15 EP claimed
WO-2003079965-A2 DERIVATIVES OF ISOFLAVONES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-10-02 WO claimed
WO-2010032248-A2 MULTIFUNCTIONAL ALBUMIN CONJUGATES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-03-25 WO disclosed
EP-1484966-A4 DERIVATIVES OF ISOFLAVONES YEDA RES & DEV (IL) 2006-04-05 EP disclosed
EP-1484966-A2 DERIVATIVES OF ISOFLAVONES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-12-15 EP disclosed
WO-2003079965-A2 DERIVATIVES OF ISOFLAVONES YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-10-02 WO disclosed