SCHEMBL777604

SCHEMBL777604

Cc1cccc(C(=O)CCCC(C)P(=O)(O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.47
WNT3A P56704 4/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNH2 Q12809 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ACP3 P15309 1/20 0.39

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
SCHEMBL777295 0.82 KMT2A (0.49) CTNNB1WNT3ATDP1HDAC8HDAC6
SCHEMBL776243 0.82 ATM (0.48) CTNNB1WNT3ATAS1R3TAS1R1ATM
SCHEMBL14518809 0.77 CTNNB1 (0.56) CTNNB1WNT3ATAS1R3TAS1R1ATM
SCHEMBL30089541 0.77 CTNNB1 (0.70) CTNNB1WNT3ATAS1R3TAS1R1HPGD
SCHEMBL29062364 0.77 CTNNB1 (0.70) CTNNB1WNT3ATAS1R3TAS1R1HPGD
SCHEMBL4931177 0.76 CTNNB1 (0.56) CTNNB1WNT3ATAS1R3TAS1R1HPGD
SCHEMBL779388 0.74 CTNNB1 (0.44) CTNNB1WNT3AHPGDSMN1; SMN2
SCHEMBL10790439 0.74 CTNNB1 (0.55) CTNNB1WNT3AHPGDTDP1HDAC8
SCHEMBL2743419 0.74 HDAC3 (0.58) CTNNB1WNT3AHPGDTDP1HDAC8
SCHEMBL10792422 0.74 PARP1 (0.59) CTNNB1WNT3AHPGDTDP1HDAC8

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