SCHEMBL2984368

SCHEMBL2984368

CCC(CC)C(C)C(=O)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.43
MMP2 P08253 8/20 0.43
MMP3 P08254 5/20 0.43
MMP8 P22894 6/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
LAP3 P28838 1/20 0.36
MMP9 P14780 3/20 0.34
METAP1 P53582 2/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL2982694 0.82 METAP1 (0.47) MMP1MMP2MMP3MMP8CA12
SCHEMBL2990208 0.76 MMP2 (0.42) MMP1MMP2MMP3MMP8CA12
SCHEMBL4332059 0.75 MMP1 (0.46) MMP1MMP2MMP3MMP8CA12
SCHEMBL4305118 0.72 MMP1 (0.44) MMP1MMP2MMP3MMP8CA12
SCHEMBL8383247 0.70 MMP2 (0.46) MMP1MMP2MMP3MMP8CA12
SCHEMBL12166141 0.69 ALDH1A1 (0.35) MMP1MMP2MMP3
SCHEMBL20490020 0.69 TSHR (0.35) MMP1MMP2MMP3
SCHEMBL940382 0.69 TP53 (0.40) CA2
SCHEMBL3469330 0.68
SCHEMBL28898676 0.67 TSHR (0.33)

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-8962192-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-24 US disclosed
US-8574757-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2013-11-05 US disclosed
US-20120264011-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-10-18 US disclosed
US-20100035147-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-11 US disclosed