SCHEMBL2978636

SCHEMBL2978636

CCCC(CCC)CCC(=O)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.43
METAP1 P53582 2/20 0.38
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
CA2 P00918 3/20 0.34
CYP3A4 P08684 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
SCHEMBL2984012 0.84 CA2 (0.39) FDPSMETAP1TDP1MMP1MMP2
SCHEMBL2987743 0.80 FDPS (0.44) FDPSMETAP1CHRM1AKR1A1CHRM3
SCHEMBL3469568 0.76
SCHEMBL2990573 0.75 CA1 (0.48) MMP1MMP2MMP3MMP9CA2
SCHEMBL2919662 0.74 CES2 (0.43) FDPSHDAC1HDAC2MMP1MMP2
SCHEMBL11327481 0.72 CES1 (0.50) FDPSMMP1MMP2MMP3CA1
SCHEMBL6690683 0.72 HDAC1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11852150 0.72 HDAC1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28887909 0.71 FDPS (0.36) FDPSMETAP1CHRM1AKR1A1CHRM3
SCHEMBL8897159 0.70 TDP1 (0.43) FDPSMETAP1CHRM1AKR1A1CHRM3

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