SCHEMBL8041406

SCHEMBL8041406

CCCOC(=O)CC(C)CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DGKA P23743 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 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
SCHEMBL6234059 0.89 NAAA (0.43) NAAAALDH1A1DGKAHCAR2MAPT
SCHEMBL23292692 0.88 NAAA (0.50) NAAAALDH1A1DGKAHCAR2MAPT
SCHEMBL2131723 0.86 NAAA (0.53) NAAADGKAHCAR2MAPTMAPK1
SCHEMBL13734568 0.86 NAAA (0.53) NAAADGKAHCAR2MAPTMAPK1
SCHEMBL2130443 0.86 NAAA (0.53) NAAADGKAHCAR2MAPTMAPK1
SCHEMBL13733267 0.86 NAAA (0.53) NAAADGKAHCAR2MAPTMAPK1
SCHEMBL2130997 0.86 NAAA (0.53) NAAADGKAHCAR2MAPTMAPK1
SCHEMBL4412782 0.85 NAAA (0.41) NAAADGKAMAPTMAPK1NPSR1
SCHEMBL579240 0.85 EGFR (0.38)
SCHEMBL4407978 0.85 NAAA (0.41) NAAADGKAMAPTMAPK1NPSR1

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
US-6096692-A CYLIC KETALS AND ACDTALS HAVING HEAT AND OXIDATION RESISTANCE, ARE FREE FROM CARBOXYLIC ACIDS FORMING DUE TO HYDROLYSIS, LOW IN HYGROSCOPICITY, INEXPENSIVE, GOOD INSULATION AND COMPATIBLE WITH HYDROFLUOROCARBONS; WORKING FLUID REFRIGERANTS KAO CORPORATION (JP) 2000-08-01 US disclosed
US-4267075-A SAID ESTERS BEING ALKYL, ALKENYL, OR ALKYNYL ESTERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1981-05-12 US disclosed