SCHEMBL9305953

SCHEMBL9305953

C=C(COC(C)OCC)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GLO1 Q04760 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9005311 0.85 ALDH1A1 (0.42) LMNAALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL13575314 0.81 ALDH1A1 (0.40) LMNAALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL7069218 0.81 LMNA (0.48) LMNA
SCHEMBL3253895 0.77 ALDH1A1 (0.37) ALDH1A1TSHRCYP2D6CYP2C19MAPT
SCHEMBL17716869 0.76 ALDH1A1 (0.36) LMNAALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL1520965 0.76 ALDH1A1 (0.48) LMNAALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL3277686 0.76 ALDH1A1 (0.41) LMNAALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL14556965 0.75 ALDH1A1 (0.38) LMNAALDH1A1TSHRCYP2D6CYP2C19
SCHEMBL1521277 0.74 LMNA (0.39) LMNATHRB
SCHEMBL17468382 0.74 ALDH1A1 (0.41) LMNAALDH1A1TSHRCYP2D6CYP2C19

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-5332852-A Forming silyloxy unsaturated compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-07-26 US disclosed