SCHEMBL4658522

SCHEMBL4658522

CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1=O.CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1C(C)(C)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.73
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
HKDC1 Q2TB90 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
HSP90AA1 P07900 1/20 0.52
MAPK1 P28482 1/20 0.52
MPI P34949 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 2/20 0.47

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
SCHEMBL3584372 0.91 ALDH1A1 (0.58) PPARGALDH1A1TDP1KDM4EMEN1
SCHEMBL3572575 0.86 PPARG (1.00) PPARGALDH1A1TDP1KDM4EMEN1
SCHEMBL4659852 0.80 PPARG (0.84) PPARGALDH1A1TDP1KDM4EMEN1
SCHEMBL4659855 0.80 PPARG (0.84) PPARGALDH1A1TDP1KDM4EMEN1
SCHEMBL4658462 0.76 PPARG (0.67) PPARGALDH1A1TDP1KDM4EMEN1
SCHEMBL4658464 0.76 PPARG (0.67) PPARGALDH1A1TDP1KDM4EMEN1
SCHEMBL3571664 0.75 ALDH1A1 (0.61) PPARGALDH1A1TDP1KDM4EMEN1
SCHEMBL3570268 0.75 ALDH1A1 (0.61) PPARGALDH1A1TDP1KDM4EMEN1
SCHEMBL3574864 0.75 ALDH1A1 (0.61) PPARGALDH1A1TDP1KDM4EMEN1
SCHEMBL4659886 0.75 PPARG (0.76) PPARGALDH1A1TDP1KDM4EMEN1

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-1756036-A4 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2008-04-16 EP disclosed
EP-1756036-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-02-28 EP disclosed
WO-2005100297-A1 INDENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2005-10-27 WO disclosed