SCHEMBL2988910

SCHEMBL2988910

CCP(=O)(CC)CC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MMP2 P08253 5/20 0.35
MMP1 P03956 4/20 0.35
MMP3 P08254 3/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
TRPA1 O75762 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CES2 O00748 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
SCHEMBL3469427 0.77 TSHR (0.48) ALDH1A1TDP1MMP2MMP1MMP3
SCHEMBL12702877 0.74 LMNA (0.46) ALDH1A1TDP1TRPA1
SCHEMBL4820563 0.74 PGK1 (0.33) TDP1
SCHEMBL6508196 0.71 KDM4E (0.41)
SCHEMBL563067 0.69
SCHEMBL144420 0.69
SCHEMBL2993078 0.69
SCHEMBL3021699 0.69 GAA (0.50) ALDH1A1TDP1TRPA1CA12CA1
SCHEMBL2992411 0.69 LMNA (0.38) ALDH1A1TDP1MMP2MMP1MMP3
Butane SCHEMBL8838663 0.69 TDP1 (0.46) ALDH1A1TDP1MMP2MMP1MMP3

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