SCHEMBL779661

SCHEMBL779661

Cc1cc(C(=O)c2ccccc2C)c(C(=O)P(=O)(O)O)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.38
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TTR P02766 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL779416 0.82 ALDH1A1 (0.40) HDAC7L3MBTL1MAPK13MAPK12MAPK11
SCHEMBL779417 0.80 HPGD (0.39) HDAC7L3MBTL1HPGDALDH1A1LMNA
SCHEMBL776598 0.79 HDAC7 (0.48) HDAC7L3MBTL1HPGDALDH1A1LMNA
SCHEMBL27904704 0.78 PTPN1 (0.47) HDAC7L3MBTL1MAPK13MAPK12MAPK11
SCHEMBL779209 0.72 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14HPGD
SCHEMBL17748182 0.72 BCAT2 (0.55) L3MBTL1MAPK13MAPK12MAPK11MAPK14
SCHEMBL779662 0.72 FABP4 (0.39) MAPK13MAPK12MAPK11MAPK14HPGD
SCHEMBL778487 0.72 CNR2 (0.41) HDAC7L3MBTL1HPGDALDH1A1LMNA
SCHEMBL2258548 0.72 HPGD (0.52) L3MBTL1HPGDALDH1A1CYP3A4CYP2C9
SCHEMBL6911949 0.71 MYC (0.50) L3MBTL1MAPK13MAPK12MAPK11MAPK14

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