SCHEMBL8012500

SCHEMBL8012500

CC(C)OC(=O)OCC(C)(C)N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.31
HSD17B10 Q99714 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL19500080 0.86 TSHR (0.32) TSHR
SCHEMBL6899774 0.83 TSHR (0.39) TSHRLMNA
SCHEMBL12120687 0.78 TSHR (0.34) TSHRLMNA
SCHEMBL22735042 0.77 HTT (0.50) TSHRLMNAHSD17B10
SCHEMBL22372416 0.76 TSHR (0.33) TSHRLMNA
SCHEMBL28325238 0.76 ALDH1A1 (0.38) TSHRLMNAHSD17B10GRIN2DGRIN3B
SCHEMBL19236580 0.75 TSHR (0.32) TSHR
SCHEMBL6900393 0.75 LMNA (0.39) TSHRLMNAHSD17B10
SCHEMBL22345976 0.74 HTT (0.37) TSHRLMNAHSD17B10GRIN2DGRIN3B
SCHEMBL22735024 0.73 TSHR (0.34) TSHRLMNA

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-0830336-A4 PROCESS FOR THE PREPARATION OF TERTIARY AMINOCARBONATES AND AMINOETHERS OSI SPECIALTIES INC (US) 2000-04-05 EP disclosed
EP-0830336-A1 PROCESS FOR THE PREPARATION OF TERTIARY AMINOCARBONATES AND AMINOETHERS OSi Specialties, Inc. (US) 1998-03-25 EP disclosed
WO-1996040613-A1 PROCESS FOR THE PREPARATION OF TERTIARY AMINOCARBONATES AND AMINOETHERS OSI SPECIALTIES, INC. (US) 1996-12-19 WO disclosed