SCHEMBL776899

SCHEMBL776899

CCc1ccccc1OP(=O)(O)C(=O)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
PDE3A Q14432 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.38
KMT2A Q03164 3/20 0.37
KCNK3 O14649 1/20 0.37
POLB P06746 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL778117 0.86 HPGD (0.45) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL778226 0.85 KDM4E (0.43) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL779807 0.80 RAB9A (0.40) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL778002 0.78 SRC (0.41) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL28149404 0.77 NPSR1 (0.41) ALDH1A1KDM4EHSD17B10KMT2AMEN1
SCHEMBL4451647 0.75 L3MBTL1 (0.41) HPGDALDH1A1KDM4EUSP2PDE3A
SCHEMBL18486586 0.75 HPGD (0.46) HPGDALDH1A1KDM4EHTTKMT2A
SCHEMBL3888421 0.75 ALDH1A1 (0.41) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL776756 0.75 KMT2A (0.47) HPGDNPC1RAB9AALDH1A1HTT
SCHEMBL2150397 0.74 L3MBTL1 (0.47) HPGDALDH1A1KDM4EUSP2PDE3A

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