SCHEMBL2984012

SCHEMBL2984012

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
MMP1 P03956 5/20 0.39
MMP2 P08253 5/20 0.39
MMP8 P22894 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MMP3 P08254 4/20 0.38
FDPS P14324 3/20 0.34
LAP3 P28838 1/20 0.34
MMP9 P14780 2/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GCLC P48506 1/20 0.31
METAP1 P53582 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
SCHEMBL2978636 0.84 FDPS (0.43) CA2MMP1MMP2MMP8CA12
SCHEMBL2994643 0.76 MMP1 (0.41) CA2MMP1MMP2MMP8CA12
SCHEMBL2990573 0.76 CA1 (0.48) CA2MMP1MMP2MMP8CA12
SCHEMBL27789917 0.72 CYP3A4 (0.37) CA2MMP1MMP2MMP8CA12
SCHEMBL11561311 0.72 CA2 (0.46) CA2CA1CYP3A4TSHRATM
SCHEMBL3469568 0.72
SCHEMBL2919662 0.70 CES2 (0.43) MMP1MMP2MMP8CA1MMP3
Phosphoric Acid SCHEMBL11338532 0.70 FDPS (0.52) FDPSLAP3CYP3A4TDP1L3MBTL1
SCHEMBL20490059 0.70 CA2 (0.45) CA2CA1CYP3A4TSHRATM
SCHEMBL1009649 0.70 GABRP (0.50) CA2TSHR

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