SCHEMBL16859928

SCHEMBL16859928

Cc1cccc(C(C)(c2cccc(C)c2)P(=O)(O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 3/20 0.54
PGK1 P00558 4/20 0.46
PGK2 P07205 4/20 0.46
LMNA P02545 1/20 0.44
ACP3 P15309 1/20 0.42
PTPRC P08575 1/20 0.41
ACHE P22303 2/20 0.41
PTPN1 P18031 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KCNK3 O14649 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL777721 0.79 KCNN4 (0.49) PTPN5PGK1PGK2PTPRCPTPN1
SCHEMBL875768 0.77 PTPN1 (0.58) PTPN5PGK1PGK2PTPN1HDAC8
SCHEMBL3883723 0.75 TSHR (0.48) PTPN5PGK1PGK2LMNAACHE
M-Xylene SCHEMBL379656 0.74 ACHE (0.67) PTPN5LMNAACP3ACHEHDAC8
M-Xylene SCHEMBL31175845 0.74 ACHE (0.67) PTPN5LMNAACP3ACHEHDAC8
M-Xylene SCHEMBL29023600 0.74 ACHE (0.67) PTPN5LMNAACP3ACHEHDAC8
M-Xylene SCHEMBL27484345 0.74 ACHE (0.67) PTPN5LMNAACP3ACHEHDAC8
M-Xylene SCHEMBL31175847 0.74 ACHE (0.67) PTPN5LMNAACP3ACHEHDAC8
M-Xylene SCHEMBL867616 0.74 ACHE (0.67) PTPN5LMNAACP3ACHEHDAC8
Phosphoric Acid SCHEMBL27558610 0.73 HDAC8 (0.43) PTPN5LMNAACHEHDAC8HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed