SCHEMBL27748743

SCHEMBL27748743

CC(OP(C)(=O)O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.46
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
MMP1 P03956 3/20 0.35
MMP8 P22894 2/20 0.35
FDPS P14324 1/20 0.35
MMP3 P08254 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
EPHX1 P07099 1/20 0.34
ACHE P22303 1/20 0.34
ANPEP P15144 2/20 0.34
ERAP2 Q6P179 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
DPP4 P27487 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
SCHEMBL28980208 0.85 MMP2 (0.47) MMP2CA12CA1CA2CA9
SCHEMBL28980209 0.85 MMP2 (0.47) MMP2CA12CA1CA2CA9
SCHEMBL778681 0.83 CA12 (0.40) MMP2CA12CA1CA2CA9
SCHEMBL27769846 0.79 MMP2 (0.42) MMP2CA12CA1CA2CA9
SCHEMBL30265903 0.77 CA12 (0.43) MMP2CA12CA1CA2CA9
SCHEMBL2488494 0.76 MMP2 (0.37) MMP2CA12CA1CA2CA9
SCHEMBL778638 0.75 CA12 (0.38) MMP2CA12CA1CA2CA9
SCHEMBL779605 0.73 SHBG (0.40) MMP2CA12CA1CA2CA9
SCHEMBL28056091 0.73 MMP2 (0.38) MMP2CA12CA1CA2CA9
SCHEMBL27748608 0.72 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2HPGDEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103259044-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEMICAL CORP. (JP) 2016-02-10 CN disclosed
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