SCHEMBL2990573

SCHEMBL2990573

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
MMP1 P03956 3/20 0.41
MMP8 P22894 3/20 0.41
MMP2 P08253 3/20 0.36
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
MMP9 P14780 1/20 0.36
MMP3 P08254 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ANPEP P15144 3/20 0.34
LAP3 P28838 2/20 0.34
ERAP1 Q9NZ08 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
TRPA1 O75762 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 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
SCHEMBL6368603 0.82 KDM4C (0.43) CA1MMP1MMP8LAP3
SCHEMBL2984012 0.76 CA2 (0.39) CA1MMP1MMP8MMP2CA12
SCHEMBL2978636 0.75 FDPS (0.43) CA1MMP1MMP8MMP2CA12
SCHEMBL2993054 0.74 ALDH1A1 (0.46) CA1MMP1MMP8MMP2CA12
SCHEMBL8382029 0.74 MMP1 (0.44) CA1MMP1MMP8MMP2CA12
SCHEMBL11516995 0.71 CA1 (0.44) CA1MMP1MMP8ALDH1A1ANPEP
SCHEMBL3469568 0.70
SCHEMBL9313913 0.69 CA12 (0.38) CA1MMP1MMP8MMP2CA12
SCHEMBL7615209 0.69 CA1 (0.68) CA1CA2ALDH1A1TRPA1
SCHEMBL9334135 0.69 CA12 (0.38) CA1MMP1MMP8MMP2CA12

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