SCHEMBL777250

SCHEMBL777250

Cc1ccccc1C(=O)C(CCCP(=O)(O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.42
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HDAC7 Q8WUI4 1/20 0.38
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL778073 0.83 ACP3 (0.46) ACP3SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL779389 0.82 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3HPGDSMN1; SMN2
SCHEMBL778566 0.81 LMNA (0.47) ACP3SMN1; SMN2
SCHEMBL24465233 0.76 LMNA (0.57) SLC6A2SLC6A4SLC6A3SMN1; SMN2ERCC5
SCHEMBL28791748 0.75 TBXAS1 (0.48) ACP3
SCHEMBL779065 0.75 ACP3 (0.50) ACP3HPGDERCC5FEN1
SCHEMBL3889176 0.74 ACP3 (0.58) ACP3SLC6A4
SCHEMBL777249 0.73 ACP3 (0.49) ACP3ERCC5FEN1
SCHEMBL874649 0.72 HTR2A (0.55) ACP3
SCHEMBL778072 0.71 ACP3 (0.49) ACP3HPGDSMN1; SMN2ERCC5FEN1

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