SCHEMBL779388

SCHEMBL779388

Cc1ccccc1C(=O)CCCC(C)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 8/20 0.44
WNT3A P56704 8/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
CHRM1 P11229 3/20 0.41
DRD2 P14416 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL777249 0.82 ACP3 (0.49) CTNNB1WNT3AERCC5FEN1
SCHEMBL776720 0.81 ERCC5 (0.47) CTNNB1WNT3AERCC5FEN1HPGD
SCHEMBL15657218 0.76 CTNNB1 (0.53) CTNNB1WNT3AERCC5FEN1HPGD
SCHEMBL777295 0.76 KMT2A (0.49) CTNNB1WNT3A
SCHEMBL30089517 0.75 CTNNB1 (0.68) CTNNB1WNT3AERCC5FEN1HPGD
SCHEMBL15979740 0.75 CTNNB1 (0.68) CTNNB1WNT3AERCC5FEN1HPGD
SCHEMBL777604 0.74 CTNNB1 (0.47) CTNNB1WNT3AHPGDSMN1; SMN2
SCHEMBL7914414 0.74 ERCC5 (0.58) CTNNB1WNT3AERCC5FEN1CHRM1
SCHEMBL8955907 0.74 ERCC5 (0.53) CTNNB1WNT3AERCC5FEN1HPGD
SCHEMBL29634736 0.74 ERCC5 (0.58) CTNNB1WNT3AERCC5FEN1CHRM1

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