SCHEMBL777436

SCHEMBL777436

C=CC(C)(C(=O)c1ccccc1C)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 3/20 0.37
KCNK3 O14649 2/20 0.37
KCNK9 Q9NPC2 2/20 0.37
ELANE P08246 2/20 0.36
PLAU P00749 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
SCHEMBL778555 0.78 HPGD (0.44) HPGDSMN1; SMN2TP53L3MBTL1THRB
SCHEMBL778834 0.78 SMN1; SMN2 (0.48) HPGDSMN1; SMN2KMT2AMEN1TP53
SCHEMBL777937 0.74 CA2 (0.42) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL9723889 0.73 SMN1; SMN2 (0.42) HPGDSMN1; SMN2KMT2AMEN1TP53
SCHEMBL8955453 0.73 PTPN1 (0.48) HPGDSMN1; SMN2ALDH1A1POLBELANE
SCHEMBL780019 0.73 KCNK3 (0.45) HPGDSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL7949878 0.72 HPGD (0.47) HPGDSMN1; SMN2KMT2ATP53ALDH1A1
SCHEMBL13379131 0.71 KMT2A (0.54) HPGDSMN1; SMN2KMT2AMEN1TP53
SCHEMBL778035 0.71 HPGD (0.41) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL19278858 0.70 HPGD (0.46) HPGDSMN1; SMN2KMT2AALDH1A1POLB

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