SCHEMBL4471217

SCHEMBL4471217

CCOC(C)(OC)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL26380 0.87 ALDH1A1 (0.38) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL27636970 0.85 ALDH1A1 (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL7760434 0.81 ALDH1A1 (0.30) ALDH1A1
SCHEMBL13550943 0.81 ALDH1A1 (0.35) TSHRALDH1A1TDP1CYP4F2CYP4A11
SCHEMBL607413 0.79
Zinc Ion SCHEMBL4478805 0.77
SCHEMBL4174244 0.77 CYP4F2 (0.44) TSHRALDH1A1CYP4F2CYP4A11
SCHEMBL7760442 0.77 HCAR2 (0.36) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL27542242 0.76 ALDH1A1 (0.42) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL9937133 0.74 HTT (0.33)

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
EP-2104714-A1 PROCESS FOR PRODUCING NANOPARTICLES 3M Innovative Properties Company (US) 2009-09-30 EP disclosed
WO-2008079800-A1 PROCESS FOR PRODUCING NANOPARTICLES 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-07-03 WO disclosed