SCHEMBL778631

SCHEMBL778631

Cc1cccc(C(=O)Cc2ccc(S(=O)(=O)O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MEN1 O00255 2/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 2/20 0.47
FFAR1 O14842 1/20 0.47
GLA P06280 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP26A1 O43174 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
GPR17 Q13304 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
SCHEMBL11382971 0.84 RAB9A (0.57) MEN1TP53KMT2AFFAR1GLA
SCHEMBL16171153 0.83 MEN1 (0.52) MEN1TP53KMT2AFFAR1GLA
SCHEMBL780498 0.81 NPC1 (0.63) CA1CA2KMT2ACYP1A2CYP2C9
SCHEMBL3289372 0.81 L3MBTL1 (0.58) MEN1TP53KMT2AFFAR1GLA
SCHEMBL11033528 0.81 SMN1; SMN2 (0.52) CA1CA2MEN1KMT2AMAPT
SCHEMBL10531489 0.81 RECQL (0.59) MEN1TP53KMT2ACYP1A2CYP2C9
SCHEMBL3281032 0.80 KDM4E (0.58) MEN1TP53KMT2AFFAR1GLA
SCHEMBL6359073 0.79 CTBP2 (0.54) MEN1TP53KMT2AFFAR1GLA
SCHEMBL16162272 0.78 NPC1 (0.55) MEN1TP53KMT2AALDH1A1MAPT
SCHEMBL11636718 0.77 RAB9A (0.61) MEN1TP53KMT2AFFAR1GLA

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