SCHEMBL3887583

SCHEMBL3887583

CCOS(=O)Oc1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CYP2C9 P11712 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NQO1 P15559 1/20 0.34
DHODH Q02127 1/20 0.34
MAOB P27338 1/20 0.34
PKM P14618 1/20 0.34
TEAD4 Q15561 1/20 0.33

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
SCHEMBL776590 0.83 ACHE (0.48) ACHECYP3A4TSHRMEN1KMT2A
SCHEMBL778756 0.82 CYP1A2 (0.43) MEN1KMT2ALMNAALDH1A1CYP2C9
SCHEMBL11221419 0.82 LTA4H (0.41) TSHRL3MBTL1
SCHEMBL3883731 0.77 ACHE (0.48) ACHECYP3A4TSHRMEN1KMT2A
SCHEMBL3884014 0.75 HTT (0.48) ACHECYP3A4TSHRMEN1KMT2A
SCHEMBL16171303 0.72 ACHE (0.38) ACHECYP3A4TSHRMEN1KMT2A
SCHEMBL16804123 0.72 ACHE (0.46) ACHECYP3A4TSHRMEN1KMT2A
SCHEMBL25150205 0.71 RECQL (0.53) ACHECYP3A4TSHRKMT2AALDH1A1
SCHEMBL6747520 0.71 RECQL (0.53) ACHECYP3A4TSHRKMT2AALDH1A1
SCHEMBL778285 0.71 CYP4F2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed