SCHEMBL778002

SCHEMBL778002

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
PDE3A Q14432 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KCNK3 O14649 1/20 0.36
POLB P06746 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34

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 0.84 HPGD (0.45) ALDH1A1HPGDKDM4EUSP2PDE3A
SCHEMBL778355 0.81 SRC (0.41) SRCALDH1A1KMT2AMEN1ESR1
SCHEMBL778226 0.81 KDM4E (0.43) ALDH1A1HPGDKDM4EKMT2AMEN1
SCHEMBL776899 0.78 HPGD (0.43) ALDH1A1HPGDKDM4EUSP2PDE3A
SCHEMBL27644252 0.77 KMT2A (0.56) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL3883332 0.76 SRC (0.44) SRCALDH1A1KDM4EPOLBNPC1
SCHEMBL777470 0.75 SRC (0.51) SRCALDH1A1HPGDKDM4EUSP2
SCHEMBL4128875 0.74 SRC (0.70) SRCALDH1A1HPGDKDM4EUSP2
SCHEMBL779603 0.72 PTGDR2 (0.46) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL777449 0.71 SRC (0.51) SRCALDH1A1HPGDKDM4EUSP2

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