SCHEMBL27748628

SCHEMBL27748628

C=CP(=O)(OCC)OC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL779152 0.83 ACHE (0.45) ACHENPSR1MEN1KMT2AGAA
SCHEMBL20377324 0.81 ACHE (0.42) ACHENPSR1MEN1KMT2A
SCHEMBL27748564 0.80 ACHE (0.44) ACHENPSR1MEN1KMT2AGAA
SCHEMBL575759 0.76 TSHR (0.48) ACHEMMP1MMP2NPSR1MEN1
SCHEMBL14966337 0.76 TSHR (0.48) ACHEMMP1MMP2NPSR1MEN1
SCHEMBL779366 0.75 ACHE (0.43) ACHENPSR1MEN1KMT2AEPHX1
SCHEMBL282682 0.74 TSHR (0.48) ACHENPSR1TSHR
SCHEMBL575336 0.74 ACHE (0.50) ACHEMMP1MMP2NPSR1MEN1
SCHEMBL575649 0.74 ACHE (0.42) ACHEMMP1MMP2NPSR1MEN1
SCHEMBL575204 0.74 TSHR (0.50) ACHEMMP1MMP2NPSR1MEN1

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-102097654-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2014-10-01 CN disclosed
CN-103259044-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2013-08-21 CN disclosed
CN-101432923-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2012-04-18 CN disclosed
CN-102097654-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-06-15 CN disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed