SCHEMBL776720

SCHEMBL776720

Cc1ccccc1C(=O)CC(C)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
F2R P25116 1/20 0.43
CTNNB1 P35222 3/20 0.42
WNT3A P56704 3/20 0.42
HPGD P15428 3/20 0.41
ACP3 P15309 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL779388 0.81 CTNNB1 (0.44) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL13647199 0.80 ERCC5 (0.55) ERCC5FEN1F2RCTNNB1WNT3A
SCHEMBL778072 0.80 ACP3 (0.49) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL8955907 0.79 ERCC5 (0.53) ERCC5FEN1CTNNB1WNT3AHPGD
SCHEMBL16313440 0.77 ERCC5 (0.51) ERCC5FEN1F2RCTNNB1WNT3A
SCHEMBL19984928 0.74 ERCC5 (0.51) ERCC5FEN1F2RCTNNB1WNT3A
SCHEMBL779519 0.74 HPGD (0.44) ERCC5FEN1HPGDACP3SMN1; SMN2
SCHEMBL776721 0.73 HPGD (0.41) ERCC5FEN1F2RHPGDACP3
SCHEMBL777226 0.72 GSK3B (0.48) HPGDSMN1; SMN2GAAKMT2AMEN1
SCHEMBL15258568 0.72 ACHE (0.54) ERCC5FEN1F2RCTNNB1WNT3A

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