SCHEMBL19419144

SCHEMBL19419144

CCCCCCOC1C2OC3(C)OC(C2O)C(O)C1O3

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.56
TNF P01375 1/20 0.36
GSTA2 P09210 2/20 0.34
GSTP1 P09211 2/20 0.34
GSTM1 P09488 1/20 0.34
MAPK1 P28482 1/20 0.34
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
GJB2 P29033 1/20 0.32

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
SCHEMBL19419086 0.82 GBA1 (0.44) GBA1GSTA2GSTP1GSTM1MAPK1
SCHEMBL13683835 0.77 GBA1 (0.46) GBA1
SCHEMBL13683844 0.77 GBA1 (0.46) GBA1
SCHEMBL13683825 0.77 GBA1 (0.46) GBA1
SCHEMBL14210152 0.77 GBA1 (0.46) GBA1
SCHEMBL25627228 0.74 GBA1 (0.87) GBA1TNF
SCHEMBL10621226 0.73 GBA1 (0.91) GBA1TNF
SCHEMBL3651829 0.73 GBA1 (0.91) GBA1
SCHEMBL10618513 0.73 GBA1 (0.91) GBA1TNF
SCHEMBL17833025 0.73 GBA1 (1.00) GBA1TNF

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
US-20170283550-A1 POLYCARBONATE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 2017-10-05 US disclosed
US-20170283550-A1 POLYCARBONATE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 2017-10-05 US disclosed