SCHEMBL775689

SCHEMBL775689

Cc1ccc(C(=O)SSc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
POLB P06746 2/20 0.51
HSP90AA1 P07900 1/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKR1C3 P42330 1/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL11621561 0.86 HPGD (0.48) CES2CES1NPC1RAB9APOLB
SCHEMBL29001754 0.82 NPC1 (0.43) CES2CES1NPC1RAB9APOLB
SCHEMBL775576 0.81 NPC1 (0.64) CES2CES1NPC1RAB9APOLB
SCHEMBL775659 0.81 SMN1; SMN2 (0.51) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL777846 0.80 ALDH1A1 (0.59) CES2CES1NPC1RAB9APOLB
SCHEMBL9171559 0.76 ALDH1A1 (0.61) CES2CES1NPC1RAB9APOLB
SCHEMBL777048 0.74 L3MBTL1 (0.49) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL30451797 0.74 L3MBTL1 (0.49) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL776222 0.74 ALDH1A1 (0.52) CES2CES1NPC1RAB9APOLB
SCHEMBL29001755 0.74 NPC1 (0.41) CES2CES1NPC1RAB9APOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115911573-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-04 CN disclosed
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