SCHEMBL4451379

SCHEMBL4451379

CCOCCC(C)(OC)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.39
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL4435639 0.80 GAA (0.45) ALDH1A1GAALMNAHSD17B10
SCHEMBL9627407 0.76 GAA (0.43) ALDH1A1TSHRGAALMNAHSD17B10
SCHEMBL10491042 0.71 ALDH1A1 (0.41) ALDH1A1TSHRGAATHRBLMNA
SCHEMBL22721337 0.70 ALDH1A1 (0.43) ALDH1A1TSHRGAALMNAHSD17B10
SCHEMBL7674315 0.70 GAA (0.41) ALDH1A1GAA
Ether SCHEMBL2799096 0.69 ALDH1A1 (0.44) ALDH1A1TSHRGAATHRBLMNA
SCHEMBL1742403 0.68 GAA (0.40) ALDH1A1TSHRGAALMNAHSD17B10
SCHEMBL2301850 0.68 GAA (0.48) ALDH1A1TSHRGAALMNAHSD17B10
Acetic Acid Methyl Ester SCHEMBL904422 0.68 ALDH1A1 (0.68) ALDH1A1TSHRGAATHRBLMNA
SCHEMBL28340661 0.67 ALDH1A1 (0.43) ALDH1A1TSHRGAATHRBLMNA

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
WO-2009108850-A2 COATING COMPOSITION AND METHOD OF APPLICATION PERES CARL (US) 2009-09-03 WO disclosed
US-20090220700-A1 Coating Composition And Method Of Application PERES CARL 2009-09-03 US disclosed