SCHEMBL776721

SCHEMBL776721

Cc1ccccc1C(=O)C(C)CP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
F2R P25116 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACP3 P15309 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL778556 0.85 HPGD (0.46) HPGDSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL779389 0.81 ALDH1A1 (0.41) HPGDSLC6A2SLC6A4SLC6A3ERCC5
SCHEMBL779519 0.81 HPGD (0.44) HPGDSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL778073 0.80 ACP3 (0.46) HPGDSLC6A2SLC6A4SLC6A3ERCC5
SCHEMBL28911840 0.79 SLC6A2 (0.45) HPGDSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL10446352 0.79 SLC6A2 (0.49) HPGDSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL777215 0.79 HPGD (0.46) HPGDSLC6A2SLC6A4SLC6A3ERCC5
SCHEMBL2233660 0.76 HPGD (0.48) HPGDSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL10852236 0.75 SLC6A2 (0.46) HPGDSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL585832 0.74 HPGD (0.47) HPGDSLC6A2SLC6A4SLC6A3KMT2A

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