SCHEMBL784015

SCHEMBL784015

CCOC(OCC)(OCC)OC(=O)CC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
NAAA Q02083 1/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 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
SCHEMBL783759 0.81 NAAA (0.39) ALDH1A1NAAALMNA
SCHEMBL783994 0.81 ALDH1A1 (0.48) ALDH1A1MGAMGAASIMGAM2
SCHEMBL28299790 0.78 ALDH1A1 (0.33) ALDH1A1MGAMGAASIMGAM2
SCHEMBL784518 0.77 ALDH1A1 (0.36) ALDH1A1MGAMGAASIMGAM2
SCHEMBL783715 0.77 ALDH1A1 (0.43) ALDH1A1MGAMGAASIMGAM2
SCHEMBL27503693 0.76 ALDH1A1 (0.32) ALDH1A1MGAMGAASIMGAM2
SCHEMBL440012 0.75 MGAM (0.36) MGAMGAASIMGAM2FFAR3
SCHEMBL26086515 0.75 MGAM (0.31) ALDH1A1MGAMGAASIMGAM2
SCHEMBL9067409 0.74 MGAM (0.32) ALDH1A1MGAMGAASIMGAM2
SCHEMBL783630 0.71 HDAC4 (0.33) HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102412416-A Nonaqueous electrolyte and nonaqueous electrolyte battery SONY CORP 2012-04-11 CN disclosed
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed