SCHEMBL777295

SCHEMBL777295

Cc1ccc(C(=O)CCCC(C)P(=O)(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
GSK3B P49841 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
S1PR1 P21453 2/20 0.40

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
SCHEMBL777604 0.82 CTNNB1 (0.47) KMT2AHDAC8HDAC6CTNNB1WNT3A
SCHEMBL777226 0.80 GSK3B (0.48) KMT2AGSK3BHDAC3HDAC4HDAC1
SCHEMBL9171670 0.79 KMT2A (0.53) KMT2AGSK3BHDAC1HDAC6CTNNB1
SCHEMBL778565 0.79 ACP3 (0.49) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL9077878 0.78 KMT2A (0.56) KMT2AGSK3BCTNNB1WNT3ANPC1
SCHEMBL9419411 0.77 KMT2A (0.69) KMT2AGSK3BCTNNB1WNT3ANPC1
SCHEMBL12018604 0.77 KMT2A (0.55) KMT2AGSK3BCTNNB1WNT3ANPC1
SCHEMBL13686391 0.76 KMT2A (0.50) KMT2AGSK3BCTNNB1WNT3ANPC1
SCHEMBL779388 0.76 CTNNB1 (0.44) CTNNB1WNT3A
SCHEMBL3885276 0.76 FDFT1 (0.51) S1PR1S1PR3S1PR2

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