SCHEMBL779209

SCHEMBL779209

Cc1ccccc1C(=O)c1ccc(C)c(C(=O)P(=O)(O)O)c1C(=O)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.39
MAPK12 P53778 4/20 0.39
MAPK11 Q15759 4/20 0.39
MAPK14 Q16539 4/20 0.39
HPGD P15428 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
TYK2 P29597 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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 0.84 HPGD (0.39) HPGDKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL779662 0.81 FABP4 (0.39) MAPK13MAPK12MAPK11MAPK14HPGD
SCHEMBL2230263 0.78 CYP3A4 (0.50) MAPK13MAPK12MAPK11MAPK14HPGD
SCHEMBL2258548 0.78 HPGD (0.52) HPGDCYP3A4CYP2C9KMT2ASMN1; SMN2
SCHEMBL777429 0.77 CYP3A4 (0.44) MAPK13MAPK12MAPK11MAPK14HPGD
SCHEMBL7041793 0.74 CYP3A4 (0.48) HPGDCYP3A4CYP2C9KMT2ASMN1; SMN2
SCHEMBL333141 0.74 CYP3A4 (0.55) MAPK13MAPK12MAPK11MAPK14HPGD
SCHEMBL29387256 0.74 CYP3A4 (0.55) MAPK13MAPK12MAPK11MAPK14HPGD
SCHEMBL777501 0.73 PTK2B (0.44) HPGDCYP3A4CYP2C9KMT2ASMN1; SMN2
SCHEMBL779661 0.72 HDAC7 (0.44) MAPK13MAPK12MAPK11MAPK14HPGD

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-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 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