SCHEMBL2990569

SCHEMBL2990569

CCCC(CCC)C(=O)CCP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.46
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
FOLH1 Q04609 1/20 0.41
METAP1 P53582 2/20 0.41
LPAR3 Q9UBY5 3/20 0.40

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
SCHEMBL2992410 0.88 LPAR3 (0.47) FDPSCHRM1AKR1A1CHRM3HTR2A
SCHEMBL2991836 0.83 FOLH1 (0.39) FDPSTDP1TSHRFOLH1LPAR3
SCHEMBL2994534 0.78 FDPS (0.50) FDPSCHRM1AKR1A1CHRM3HTR2A
SCHEMBL23631407 0.74 HDAC1 (0.57) FDPSCHRM1AKR1A1CHRM3HTR2A
Butane SCHEMBL7716635 0.73 CHRM1 (0.64) FDPSCHRM1AKR1A1CHRM3HTR2A
SCHEMBL8895771 0.73 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2988737 0.73 ALDH1A1 (0.41) TDP1FOLH1LPAR3LPAR2
SCHEMBL19879557 0.73 HDAC1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2990606 0.71 LPAR3 (0.45) TDP1CYP3A4NFKB1FOLH1LPAR3
SCHEMBL2325363 0.70 CES2 (0.59) TDP1TSHR

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