SCHEMBL779662

SCHEMBL779662

Cc1ccccc1C(=O)c1c(C)ccc(C(=O)P(=O)(O)O)c1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.39
HPGD P15428 2/20 0.39
MAPK13 O15264 2/20 0.36
MAPK12 P53778 2/20 0.36
MAPK11 Q15759 2/20 0.36
MAPK14 Q16539 2/20 0.36
FABP3 P05413 1/20 0.36
MYC P01106 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL779417 0.83 HPGD (0.39) HPGDMYCKDM4EALDH1A1ERCC5
SCHEMBL779209 0.81 MAPK13 (0.39) HPGDMAPK13MAPK12MAPK11MAPK14
SCHEMBL6910629 0.76 FABP4 (0.46) FABP4HPGDMAPK13MAPK12MAPK11
SCHEMBL776599 0.75 HDAC7 (0.40) FABP4HPGDALDH1A1KMT2AGAA
SCHEMBL2258548 0.75 HPGD (0.52) HPGDKDM4EALDH1A1ERCC5FEN1
SCHEMBL779416 0.72 ALDH1A1 (0.40) HPGDMAPK13MAPK12MAPK11MAPK14
SCHEMBL779661 0.72 HDAC7 (0.44) HPGDMAPK13MAPK12MAPK11MAPK14
SCHEMBL7041793 0.71 CYP3A4 (0.48) HPGDMYCKDM4EALDH1A1ERCC5
SCHEMBL10789318 0.71 FABP4 (0.47) FABP4FABP3MYCALDH1A1CYP3A4
SCHEMBL779422 0.70 MYC (0.43) FABP4HPGDMYCALDH1A1CYP3A4

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-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed