SCHEMBL328642

SCHEMBL328642

CCCCc1cc(C(C)C(=O)OC(CCC)OC(=O)C(C)c2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
ALOX5 P09917 4/20 0.35
PTGS2 P35354 3/20 0.34
MAOA P21397 1/20 0.33
ESR1 P03372 6/20 0.33
TYR P14679 1/20 0.33
FFAR1 O14842 1/20 0.32
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 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
SCHEMBL13180438 0.87 TDP1 (0.40) EGFRALOX5PTGS2MAOAESR1
SCHEMBL328666 0.84 EGFR (0.37) EGFRALOX5PTGS2MAOAESR1
SCHEMBL10272893 0.84 EGFR (0.37) EGFRALOX5PTGS2MAOAESR1
SCHEMBL10272267 0.83 ALOX5 (0.41) EGFRALOX5PTGS2MAOAESR1
SCHEMBL872574 0.83 EGFR (0.40) EGFRALOX5PTGS2MAOAESR1
SCHEMBL328706 0.83 ALOX5 (0.41) EGFRALOX5PTGS2MAOAESR1
SCHEMBL29175219 0.82 EGFR (0.42) EGFRALOX5PTGS2MAOAESR1
SCHEMBL28006185 0.80 ESR1 (0.47) ALOX5PTGS2ESR1AKR1C4AKR1C3
SCHEMBL872522 0.78 EGFR (0.43) EGFRALOX5PTGS2MAOATYR
SCHEMBL4854736 0.78 EGFR (0.43) EGFRALOX5PTGS2ESR1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299006-B2 Compressor oil composition NIPPON OIL CORPORATION (JP) 2012-10-30 US disclosed
US-8236740-B2 Lubricating oil composition NIPPON OIL CORPORATION (JP) 2012-08-07 US disclosed
US-8227387-B2 Metalworking oil composition NIPPON OIL CORPORATION (JP) 2012-07-24 US disclosed
US-8227388-B2 Hydraulic oil composition NIPPON OIL CORPORATION (JP) 2012-07-24 US disclosed
EP-2428554-A1 Heat treating oil composition Nippon Oil Corporation (JP) 2012-03-14 EP disclosed
EP-2428553-A1 Lubricating oil composition Nippon Oil Corporation (JP) 2012-03-14 EP disclosed
EP-2428555-A1 Metalworking oil composition Nippon Oil Corporation (JP) 2012-03-14 EP disclosed
US-20120053094-A1 Hydraulic oil composition NIPPON OIL CORPORATION 2012-03-01 US disclosed
US-20120053097-A1 Metal working oil composition NIPPON OIL CORPORATION 2012-03-01 US disclosed
US-20120053102-A1 Lubricating oil composition NIPPON OIL CORPORATION 2012-03-01 US disclosed
EP-2423298-A1 Compressor oil composition Nippon Oil Corporation (JP) 2012-02-29 EP disclosed
EP-2423297-A1 Hydraulic oil composition Nippon Oil Corporation (JP) 2012-02-29 EP disclosed
EP-2423296-A1 Lubricating oil composition for machine tools Nippon Oil Corporation (JP) 2012-02-29 EP disclosed
US-20120046205-A1 Compressor oil composition NIPPON OIL CORPORATION 2012-02-23 US disclosed
EP-2039746-A1 REFRIGERATOR OIL, COMPRESSOR OIL COMPOSITION, HYDRAULIC FLUID COMPOSITION, METALWORKING FLUID COMPOSITION, HEAT TREATMENT OIL COMPOSITION, LUBRICANT COMPOSITION FOR MACHINE TOOL AND LUBRICANT COMPOSITION Nippon Oil Corporation (JP) 2009-03-25 EP disclosed