SCHEMBL779603

SCHEMBL779603

Cc1ccccc1C(=O)P(=O)(O)Oc1ccccc1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CXCR5 P32302 1/20 0.38
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
TAS1R2 Q8TE23 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
PTPN5 P54829 1/20 0.35

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
SCHEMBL777185 0.83 PTGDR2 (0.46) PTGDR2NPC1RAB9AMEN1KMT2A
SCHEMBL778117 0.80 HPGD (0.45) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL3884057 0.79 PTGDR2 (0.46) PTGDR2NPC1RAB9AMEN1KMT2A
SCHEMBL9807552 0.78 PTGDR2 (0.56) PTGDR2MEN1KMT2APTPN5
SCHEMBL778269 0.77 PTGDR2 (0.52) PTGDR2MEN1KMT2APTPN5
SCHEMBL27554680 0.77 PTGDR2 (0.55) PTGDR2MEN1KMT2AALDH1A1PTPN5
SCHEMBL778268 0.74 PTGDR2 (0.51) PTGDR2MEN1KMT2A
SCHEMBL779634 0.74 PTGDR2 (0.52) PTGDR2MEN1KMT2APTPN5
SCHEMBL776899 0.74 HPGD (0.43) PTGDR2NPC1RAB9AMEN1KMT2A
SCHEMBL1788242 0.74 PTGDR2 (0.54) PTGDR2MEN1KMT2APTPN5

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