SCHEMBL779389

SCHEMBL779389

Cc1ccccc1C(=O)C(C)CCCP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PIK3CD O00329 1/20 0.37
F2R P25116 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL777250 0.82 ACP3 (0.42) SLC6A2SLC6A4SLC6A3HPGDSMN1; SMN2
SCHEMBL14720363 0.81 SLC6A2 (0.51) ALDH1A1TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL776721 0.81 HPGD (0.41) ALDH1A1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL777296 0.77 CHRM2 (0.47) ALDH1A1TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL779519 0.76 HPGD (0.44) ALDH1A1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL777605 0.75 TAS1R3 (0.46) ALDH1A1TDP1SLC6A2SLC6A4SLC6A3
SCHEMBL28911840 0.74 SLC6A2 (0.45) ALDH1A1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL10446352 0.74 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3HPGDSMN1; SMN2
SCHEMBL777215 0.74 HPGD (0.46) SLC6A2SLC6A4SLC6A3HPGDSMN1; SMN2
SCHEMBL16859927 0.74 ACP3 (0.49) ALDH1A1TDP1SLC6A2SLC6A4SLC6A3

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