SCHEMBL4656368

SCHEMBL4656368

CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1Br.CCOC(=O)C1=C(c2ccccc2)c2ccc(OC)cc2C1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
TDP1 Q9NUW8 1/20 0.50
PPARG P37231 6/20 0.47
HPGD P15428 4/20 0.46
DGAT1 O75907 3/20 0.43
SOAT1 P35610 3/20 0.43
EPHX1 P07099 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL3573613 0.95 ALDH1A1 (0.55) ALDH1A1TDP1PPARGHPGDDGAT1
SCHEMBL3574864 0.86 ALDH1A1 (0.61) ALDH1A1TDP1PPARGHPGDKDM4E
SCHEMBL4656833 0.81 ALDH1A1 (0.55) ALDH1A1TDP1PPARGHPGDKDM4E
SCHEMBL4657524 0.80 ALDH1A1 (0.54) ALDH1A1TDP1PPARGHPGDKDM4E
SCHEMBL4659815 0.79 PPARG (0.51) ALDH1A1TDP1PPARGHPGDKDM4E
SCHEMBL4657020 0.78 ALDH1A1 (0.52) ALDH1A1TDP1PPARGHPGDKDM4E
SCHEMBL4659531 0.76 ALDH1A1 (0.50) ALDH1A1TDP1PPARGHPGDKDM4E
SCHEMBL4656663 0.76 ALDH1A1 (0.48) ALDH1A1TDP1PPARGHPGD
SCHEMBL4718505 0.76 ALDH1A1 (0.49) ALDH1A1TDP1PPARGHPGDKDM4E
SCHEMBL3571664 0.74 ALDH1A1 (0.61) ALDH1A1TDP1PPARGHPGDHSD17B10

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