SCHEMBL777019

SCHEMBL777019

Cc1ccc(C(=O)C(C)(C(=O)c2ccc(C)cc2)P(=O)(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
ALDH1A1 P00352 5/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 3/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.45
PTPN1 P18031 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43
NLRP1 Q9C000 1/20 0.43

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
SCHEMBL777937 0.78 CA2 (0.42) CA2ALDH1A1GAALMNACES2
SCHEMBL1701967 0.78 CA2 (0.57) CA2ALDH1A1GAALMNACES2
SCHEMBL776798 0.77 HDAC8 (0.53) HDAC6SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL777842 0.77 CA2 (0.58) CA2ALDH1A1GAALMNACES2
SCHEMBL11845852 0.76 ALDH1A1 (0.55) ALDH1A1GAALMNACES2CES1
SCHEMBL727083 0.76 CA2 (0.55) CA2ALDH1A1GAALMNACES2
SCHEMBL195231 0.76 CA2 (0.61) CA2ALDH1A1GAALMNACES2
SCHEMBL14588237 0.76 CA2 (0.55) CA2ALDH1A1GAALMNACES2
SCHEMBL9250001 0.76 CA2 (0.55) CA2ALDH1A1GAALMNACES2
SCHEMBL10710376 0.74 CA2 (0.53) CA2ALDH1A1GAALMNACES2

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