SCHEMBL777329

SCHEMBL777329

Cc1ccc(C(=O)P(=O)(O)OCC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP15 Q460N3 3/20 0.43
PARP10 Q53GL7 3/20 0.43
SRC P12931 1/20 0.41
P2RY14 Q15391 2/20 0.39
POLB P06746 1/20 0.39
PARP2 Q9UGN5 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 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
SCHEMBL778175 0.99 MMP13 (0.47) MMP13MEN1KMT2ANPC1RAB9A
SCHEMBL777330 0.87 MMP13 (0.50) MMP13MEN1KMT2ANPC1RAB9A
SCHEMBL779771 0.86 KMT2A (0.51) MMP13MEN1KMT2ANPC1RAB9A
SCHEMBL778176 0.86 MMP13 (0.48) MMP13MEN1KMT2ANPC1RAB9A
SCHEMBL779370 0.83 MEN1 (0.37) MMP13MEN1KMT2ANPC1RAB9A
SCHEMBL778500 0.79 RAB9A (0.36) MMP13MEN1KMT2ANPC1RAB9A
SCHEMBL779149 0.78 NPC1 (0.48) MEN1KMT2ANPC1RAB9ACYP2C19
SCHEMBL3884484 0.78 SRC (0.44) MMP13MEN1KMT2ANPC1RAB9A
SCHEMBL777961 0.77 NPC1 (0.46) MEN1KMT2ANPC1RAB9ACYP2C19
SCHEMBL779772 0.77 KMT2A (0.49) MMP13MEN1KMT2ANPC1RAB9A

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