SCHEMBL780498

SCHEMBL780498

Cc1ccc(C(=O)Cc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
RECQL P46063 1/20 0.47
HSD11B1 P28845 1/20 0.47
KMT2A Q03164 4/20 0.47
PAX8 Q06710 1/20 0.47
LMNA P02545 1/20 0.47
GSK3B P49841 1/20 0.46
EGFR P00533 3/20 0.46
ERBB2 P04626 3/20 0.46
PKM P14618 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL10531489 0.89 RECQL (0.59) NPC1RAB9AL3MBTL1CYP1A2CYP2C9
SCHEMBL6180942 0.87 NPC1 (0.63) NPC1RAB9AL3MBTL1RECQLHSD11B1
SCHEMBL5218244 0.86 NPC1 (0.81) NPC1RAB9AL3MBTL1KMT2ALMNA
SCHEMBL6168486 0.85 CA1 (0.62) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL10327417 0.83 TSHR (0.60) NPC1RAB9AL3MBTL1CYP1A2CYP2C9
SCHEMBL11033528 0.83 SMN1; SMN2 (0.52) L3MBTL1RECQLHSD11B1KMT2ACA12
SCHEMBL778631 0.81 CA1 (0.50) NPC1RAB9AL3MBTL1CYP1A2CYP2C9
SCHEMBL2502256 0.80 GAA (0.59) L3MBTL1CYP2C9KMT2ALMNAPKM
SCHEMBL28629860 0.79 NPC1 (0.71) NPC1RAB9AL3MBTL1KMT2AGSK3B
SCHEMBL12637601 0.79 NPC1 (0.71) NPC1RAB9AL3MBTL1RECQLKMT2A

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