SCHEMBL1894656

SCHEMBL1894656

CC(CC(=O)OCC(CO)(CO)COCC(CO)(CO)CO)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 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
SCHEMBL1897322 0.94 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL28603015 0.91
SCHEMBL7899458 0.86 ALDH1A1 (0.32) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9225217 0.85 MMP8 (0.32)
SCHEMBL1894660 0.83 BHMT (0.32)
SCHEMBL7898179 0.81 MMP1 (0.30)
SCHEMBL20394238 0.81 THRB (0.33)
Ethylene Glycol SCHEMBL7898176 0.79 PRKCA (0.30)
SCHEMBL7228511 0.79 SERPINE1 (0.33)
SCHEMBL7899461 0.78 DPP4 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1008643-B1 Refrigerator oil composition, and method of using the composition for lubrication IDEMITSU KOSAN CO (JP) 2014-12-03 EP disclosed
EP-2325290-A1 Refrigerator oil composition, and method of using the composition for lubrication IDEMITSU KOSAN CO., LTD. (JP) 2011-05-25 EP disclosed
US-6354094-B2 CO2 REFRIGERANT; ESTER-BASED LUBRICATING OIL SUCH AS A MIXED C 8-9 MIXED BRANCHED FATTY ACID ESTER OF PENTAERYTHRITOL OR A CARBONATE; CAN BE STABLY USED FOR A LONG PERIOD OF TIME IN A COMPRESSION REFRIGERATION CYCLE IDEMITSU KOSAN CO., LTD. (JP) 2002-03-12 US disclosed
US-6263683-B1 CARBON DIOXIDE AS ESSENTIAL COMPONENT AND A ESTER OF PENTAERYTHRITOL WITH C8-C9 FATTY ACID IDEMITSU KOSAN CO., LTD. (JP) 2001-07-24 US disclosed
EP-1008643-A2 Refrigerator oil composition, and method of using the composition for lubrication IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-06-14 EP disclosed