SCHEMBL779604

SCHEMBL779604

Cc1ccccc1C(=O)P(=O)(Oc1ccc(C2CCCCC2)cc1)Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CXCR5 P32302 1/20 0.38
CCR1 P32246 4/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
STAT3 P40763 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 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
SCHEMBL778118 0.80 CYP3A4 (0.47) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL777186 0.80 HDAC8 (0.46) NPC1RAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL779617 0.79 HPGD (0.46) NPC1RAB9AALDH1A1MAPTKMT2A
SCHEMBL3884059 0.76 S1PR1 (0.39) NPC1RAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL776414 0.76 NPC1 (0.52) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL776900 0.75 SMN1; SMN2 (0.49) NPC1RAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL4610702 0.74 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL778003 0.74 NPC1 (0.40) NPC1RAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL19878083 0.73 HDAC8 (0.47) NPC1RAB9AGAAALDH1A1SMN1; SMN2
SCHEMBL779150 0.73 NPC1 (0.49) NPC1RAB9AMAPTMEN1KMT2A

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