SCHEMBL13734765

SCHEMBL13734765

CC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL13496531 0.91 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10
SCHEMBL1900469 0.89 MAPK1 (0.34) ALDH1A1
SCHEMBL56208 0.89 MAPK1 (0.34) ALDH1A1
SCHEMBL21780165 0.85 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10
SCHEMBL16882948 0.84
SCHEMBL9907093 0.84 ALDH1A1 (0.43) ALDH1A1LMNA
SCHEMBL17483585 0.84 NAAA (0.35) ALDH1A1
SCHEMBL12301078 0.83 HSD17B10 (0.41) ALDH1A1LMNAHSD17B10
SCHEMBL16800392 0.83 TSHR (0.36) HSD17B10
SCHEMBL99517 0.83 MAPK1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214797-A1 INKJET INK COMPOSITION, AND INKJET RECORDING METHOD AND PRINTED MATERIAL EMPLOYING SAME FUJIFILM CORPORATION (JP) 2009-08-27 US disclosed