SCHEMBL776896

SCHEMBL776896

CCOS(=O)OC(=O)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46
PARP1 P09874 1/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR2 Q92731 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41

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
SCHEMBL779993 0.87 PARP1 (0.53) TDP1HPGDPARP1NPC1RAB9A
SCHEMBL777089 0.83 PARP1 (0.49) PARP1NPC1RAB9AMEN1ESR1
SCHEMBL777371 0.81 TDP1 (0.48) TDP1HPGDNPC1RAB9AESR1
SCHEMBL570920 0.79 TDP1 (0.60) TDP1HPGDPARP1ADRB2ADRB1
SCHEMBL29360475 0.79 TDP1 (0.60) TDP1HPGDPARP1ADRB2ADRB1
SCHEMBL775479 0.78 SMN1; SMN2 (0.46) PARP1MEN1ESR1POLBKMT2A
Hydrochloric Acid SCHEMBL28864124 0.77 L3MBTL1 (0.59) TDP1HPGDADRB2ADRB1ADRB3
Ammonia Solution, Strong SCHEMBL27753074 0.77 TDP1 (0.59) TDP1HPGDADRB2ADRB1ADRB3
SCHEMBL27734151 0.73 TDP1 (0.50) TDP1HPGDPARP1ADRB2ADRB1
SCHEMBL7943889 0.73 GPR17 (0.56) TDP1ADRB2ADRB1ADRB3NPC1

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