SCHEMBL284594

SCHEMBL284594

CCCCC(CC)COC(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
TSHR P16473 3/20 0.51
ATM Q13315 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 4/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 1/20 0.40
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL284444 0.93 CYP3A4 (0.56) CYP3A4TSHRATMTDP1GAA
SCHEMBL14438470 0.93 ATM (0.41) CYP3A4TSHRATMTDP1GAA
SCHEMBL14438471 0.92 GAA (0.42) CYP3A4TSHRATMTDP1GAA
SCHEMBL9223518 0.90 CYP3A4 (0.59) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL284668 0.89 CYP3A4 (0.47) CYP3A4TSHRATMTDP1GAA
SCHEMBL14438472 0.88 GAA (0.43) CYP3A4TSHRATMTDP1GAA
SCHEMBL26049317 0.88 GAA (0.47) GAAKMT2AALDH1A1LMNAMEN1
SCHEMBL21583725 0.87 GAA (0.48) CYP3A4TSHRATMTDP1GAA
SCHEMBL9438213 0.87 CYP3A4 (0.48) CYP3A4TSHRATMTDP1GAA
SCHEMBL373434 0.87 GAA (0.50) CYP3A4TSHRATMTDP1GAA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11116949-A None JP disclosed
JP-11209777-A None JP disclosed
WO-2023136068-A1 HEAT SOURCE MACHINE, OPERATION METHOD THEREFOR, AND REFRIGERATION OIL FOR HEAT SOURCE MACHINE 三菱重工サーマルシステムズ株式会社 2023-07-20 WO disclosed
CN-107532834-B Refrigerant circulation device and refrigerant circulation method 三菱重工制冷空调系统株式会社 2020-06-19 CN disclosed
EP-2428553-B1 Lubricating oil composition NIPPON OIL CORP (JP) 2013-05-22 EP disclosed
US-8299006-B2 Compressor oil composition NIPPON OIL CORPORATION (JP) 2012-10-30 US disclosed
US-8247360-B2 Heat treating oil composition NIPPON OIL CORPORATION (JP) 2012-08-21 US disclosed
US-8236740-B2 Lubricating oil composition NIPPON OIL CORPORATION (JP) 2012-08-07 US disclosed
US-8232233-B2 Lubricating oil composition for machine tools NIPPON OIL CORPORATION (JP) 2012-07-31 US disclosed
US-8227387-B2 Metalworking oil composition NIPPON OIL CORPORATION (JP) 2012-07-24 US disclosed
EP-2423298-A1 Compressor oil composition Nippon Oil Corporation (JP) 2012-02-29 EP disclosed
US-20120046205-A1 Compressor oil composition NIPPON OIL CORPORATION 2012-02-23 US disclosed
US-20100093568-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) 2010-04-15 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
JP-H11209777-A LUBRICATING OIL COMPOSITION WITH EXCELLENT DISCOLORATION PROOFNESS YOSHITOMI FINE CHEMICAL KK 1999-08-03 JP disclosed
US-5912212-A OIL WITH 3-METHYL-5-TERT-BUTYL-4-HYDROXYPHENYL FATTY ESTER, SULFUR AND PHOSPHORUS NIPPON OIL CO., LTD. (JP) 1999-06-15 US disclosed
JP-H11116949-A LIQUID ANTIOXIDANT AND ORGANIC POLYMER MATERIAL ADDED THEREWITH YOSHITOMI FINE CHEMICAL KK 1999-04-27 JP disclosed
US-5658865-A CONTAINING 3-METHYL-5-TERT-BUTYL-4-HYDROXYPHENYL SUBSTITUTED FATTY ACID ESTER NIPPON OIL CO., LTD. (JP) 1997-08-19 US disclosed
EP-0781834-A2 Lubricating oil composition NIPPON OIL CO. LTD. (JP) 1997-07-02 EP disclosed
EP-0716142-A2 Oxidation-inhibitive lubricating oil composition NIPPON OIL CO. LTD. (JP) 1996-06-12 EP disclosed