SCHEMBL4839883

SCHEMBL4839883

C=CC(=O)OCc1cccc2c1C(COC(=O)C=C)c1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
KMT2A Q03164 2/20 0.42
FABP5 Q01469 3/20 0.39
FABP7 O15540 2/20 0.39
THRB P10828 2/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CASP3 P42574 2/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL68446 0.85 KMT2A (0.51) EPHX2KMT2AFABP5FABP7THRB
SCHEMBL28093206 0.83 THRB (0.38) EPHX2KMT2AFABP5FABP7THRB
SCHEMBL4837456 0.78 PPARG (0.51) EPHX2KMT2AFABP5FABP7LMNA
SCHEMBL29577996 0.75 THRB (0.53) THRBLMNACYP3A4HPGDTHRA
SCHEMBL10451653 0.75 THRB (0.53) THRBLMNACYP3A4HPGDTHRA
SCHEMBL26518052 0.73 KMT2A (0.54) EPHX2KMT2AFABP5FABP7CASP3
SCHEMBL8692638 0.72 THRB (0.47) KMT2AFABP5FABP7THRB
SCHEMBL28090508 0.71 KMT2A (0.52) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL10018066 0.71 KMT2A (0.58) EPHX2KMT2AFABP5FABP7THRB
SCHEMBL27421526 0.71 THRB (0.45) KMT2ATHRBCYP3A4HPGDTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388061-B2 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-20050239636-A1 Solid catalyst component for polymerization of olefins, catalyst comprising the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-10-27 US disclosed