SCHEMBL778175

SCHEMBL778175

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
PARP15 Q460N3 3/20 0.41
PARP10 Q53GL7 3/20 0.41
SRC P12931 1/20 0.40
PARP2 Q9UGN5 1/20 0.38
P2RY14 Q15391 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.37
POLB P06746 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
SCHEMBL777329 0.99 MMP13 (0.49) MMP13KMT2AMEN1RAB9ANPC1
SCHEMBL778176 0.87 MMP13 (0.48) MMP13KMT2AMEN1RAB9ANPC1
SCHEMBL777330 0.86 MMP13 (0.50) MMP13KMT2AMEN1RAB9ANPC1
SCHEMBL779771 0.85 KMT2A (0.51) MMP13KMT2AMEN1RAB9ANPC1
SCHEMBL779370 0.84 MEN1 (0.37) MMP13KMT2AMEN1RAB9ANPC1
SCHEMBL778500 0.80 RAB9A (0.36) MMP13KMT2AMEN1RAB9ANPC1
SCHEMBL777961 0.78 NPC1 (0.46) KMT2AMEN1RAB9ANPC1CYP2C19
SCHEMBL3886764 0.78 LMNA (0.43) MMP13KMT2AMEN1RAB9ANPC1
SCHEMBL779149 0.77 NPC1 (0.48) KMT2AMEN1RAB9ANPC1CYP2C19
SCHEMBL3884484 0.77 SRC (0.44) MMP13KMT2AMEN1RAB9ANPC1

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