SCHEMBL778176

SCHEMBL778176

Cc1ccc(C(=O)P(=O)(OCC2CCCC2)OCC2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.48
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PARP15 Q460N3 3/20 0.42
PARP10 Q53GL7 3/20 0.42
PARP2 Q9UGN5 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
SSTR3 P32745 1/20 0.39
P2RY14 Q15391 2/20 0.39
GAA P10253 1/20 0.38
SRC P12931 1/20 0.38
POLB P06746 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
SCHEMBL777330 0.99 MMP13 (0.50) MMP13RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL778175 0.87 MMP13 (0.47) MMP13RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL777329 0.86 MMP13 (0.49) MMP13RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL4611314 0.85 POLB (0.49) RAB9ANPC1SMN1; SMN2PARP15PARP10
SCHEMBL779772 0.85 KMT2A (0.49) MMP13RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL4610547 0.84 SRC (0.47) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL779371 0.82 MEN1 (0.37) MMP13RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL778501 0.79 RAB9A (0.36) MMP13RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL777962 0.77 NPC1 (0.47) RAB9ANPC1CYP2C19KMT2AMEN1
SCHEMBL4610700 0.77 MEN1 (0.52) MMP13RAB9ANPC1SMN1; SMN2CYP1A2

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