SCHEMBL4445265

SCHEMBL4445265

CC(=O)CC(=O)OC(C)(OC(C)C)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP2D6 P10635 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL483310 0.98 MGAM (0.41) MGAMGAASIMGAM2
Acetoacetic Acid SCHEMBL28443820 0.90 MGAM (0.35) MGAMGAASIMGAM2
SCHEMBL30153592 0.77 GAA (0.48) MGAMGAASIMGAM2CYP2D6
Isobutane SCHEMBL27814501 0.77 GAA (0.48) MGAMGAASIMGAM2CYP2D6
SCHEMBL727499 0.76 TSHR (0.42) GAAALDH1A1TSHR
SCHEMBL1361588 0.74 GAA (0.41) MGAMGAASIMGAM2CYP2D6
SCHEMBL1524899 0.74 TSHR (0.40) GAATSHR
SCHEMBL25637426 0.73 GAA (0.44) MGAMGAASIMGAM2CYP2D6
SCHEMBL11883597 0.73 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL82881 0.73 GAA (0.55) MGAMGAASIMGAM2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624347-B1 Charging member, process cartridge, and electrophotographic apparatus CANON KK (JP) 2014-11-26 EP disclosed
US-20090093579-A1 OXIDE PARTICLE-CONTAINING POLYSILOXANE COMPOSITION AND METHOD FOR PRODUCING SAME JSR CORPORATION (JP) 2009-04-09 US disclosed
EP-1624347-A2 Charging member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2006-02-08 EP disclosed