SCHEMBL5047532

SCHEMBL5047532

C=CC(=O)OCCCCOc1ccc(N=Nc2ccc(N=Nc3ccccc3)cc2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.52
PPARD Q03181 6/20 0.52
PPARG P37231 5/20 0.52
THRB P10828 1/20 0.45
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR1 P21453 1/20 0.37

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
SCHEMBL5047528 1.00 PPARA (0.52) PPARAPPARDPPARGTHRBKDM4E
SCHEMBL5047538 1.00 PPARA (0.52) PPARAPPARDPPARGTHRBKDM4E
SCHEMBL20781163 0.91 PPARA (0.47) PPARAPPARDPPARGTHRBKDM4E
SCHEMBL25491769 0.84 ALDH1A1 (0.39) PPARAPPARDPPARGKDM4ELMNA
SCHEMBL25491784 0.82 PPARG (0.44) PPARAPPARDPPARGTHRBKDM4E
SCHEMBL10039824 0.81 PPARG (0.45) PPARAPPARDPPARGTHRBKDM4E
SCHEMBL14926751 0.80 THRB (0.62) PPARAPPARDPPARGTHRBALDH1A1
SCHEMBL31606932 0.80 THRB (0.62) PPARAPPARDPPARGTHRBALDH1A1
SCHEMBL31606928 0.80 THRB (0.62) PPARAPPARDPPARGTHRBALDH1A1
SCHEMBL31606936 0.80 THRB (0.62) PPARAPPARDPPARGTHRBALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419620-B2 Dichroic mixtures ROLIC LTD C/O ROLIC TECHNOLOGIES LTD (CH) 2008-09-02 US disclosed
EP-1385914-B1 DICHROIC MIXTURE ROLIC AG (CH) 2008-07-23 EP disclosed
US-20040164272-A1 Dichoric mixture ROLIC AG (CH) 2004-08-26 US disclosed
EP-1256602-A1 Dichroic mixture Rolic AG (CH) 2002-11-13 EP disclosed