SCHEMBL778117

SCHEMBL778117

Cc1ccccc1OP(=O)(O)C(=O)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PDE3A Q14432 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.41
KCNK3 O14649 1/20 0.41
POLB P06746 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NOTUM Q6P988 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
DHODH Q02127 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
SCHEMBL776899 0.86 HPGD (0.43) HPGDKDM4EUSP2ALDH1A1PDE3A
SCHEMBL778002 0.84 SRC (0.41) HPGDKDM4EUSP2ALDH1A1PDE3A
SCHEMBL778226 0.81 KDM4E (0.43) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL777302 0.81 ALDH1A1 (0.46) KDM4EALDH1A1KMT2APOLBMEN1
SCHEMBL779603 0.80 PTGDR2 (0.46) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL2258548 0.78 HPGD (0.52) HPGDKDM4EALDH1A1HSD17B10KMT2A
Acetone SCHEMBL28096853 0.77 KDM4E (0.45) KDM4EALDH1A1KMT2APOLBMEN1
SCHEMBL4454749 0.77 NPSR1 (0.44) HPGDKDM4EUSP2ALDH1A1PDE3A
SCHEMBL1100136 0.76 INPPL1 (0.57) HPGDKDM4EUSP2ALDH1A1PDE3A
SCHEMBL497602 0.76 KDM4E (0.47) HPGDKDM4EUSP2ALDH1A1PDE3A

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