SCHEMBL5916675

SCHEMBL5916675

CCCCOCC(CC)OC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
LPAR1 Q92633 4/20 0.39
LPAR3 Q9UBY5 4/20 0.39
PLA2G2C Q5R387 3/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
CES2 O00748 1/20 0.37
TLR2 O60603 1/20 0.37
LPAR5 Q9H1C0 3/20 0.37
LPAR6 P43657 2/20 0.37
LPAR4 Q99677 2/20 0.37

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
SCHEMBL5476277 0.96 TSHR (0.41) USP2ALDH1A1KDM4EALOX15LPAR1
SCHEMBL5916671 0.86 PLA2G2C (0.44) USP2ALDH1A1LPAR1LPAR3PLA2G2C
SCHEMBL5489816 0.85 LPAR1 (0.42) LPAR1LPAR3PLA2G2CTLR2LPAR2
SCHEMBL8928153 0.85 ALDH1A1 (0.45) USP2ALDH1A1KDM4EALOX15LPAR1
SCHEMBL12544758 0.85 PRKCA (0.41) ALDH1A1PLA2G2CTSHRCYP3A4CES2
SCHEMBL11631788 0.85 TSHR (0.39) USP2ALDH1A1PLA2G2CTSHRHTT
SCHEMBL27381941 0.85 ADRA1D (0.47) USP2ALDH1A1KDM4EALOX15LPAR1
SCHEMBL1469576 0.83 PLA2G2C (0.45) LPAR1LPAR3PLA2G2CMMP9MMP8
SCHEMBL5483688 0.83 ALDH1A1 (0.39) ALDH1A1KDM4ETSHR
SCHEMBL5483539 0.82 CTSK (0.32) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4238206-A TERTIARY AMINE OR CARBONATE SOLVENT COLUMBIA GAS SYSTEM SERVICE CORPORATION (US) 1980-12-09 US claimed
US-9231274-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-05 US disclosed
US-20130196225-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-01 US disclosed
US-20130095379-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME KOTATO MINORU (JP) 2013-04-18 US disclosed
US-20060247407-A1 Polymers with urea groups and silyl groups and production and use thereof HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) 2006-11-02 US disclosed
US-7057001-B2 Polymers with urea groups and silyl groups and production and use thereof HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-06-06 US disclosed
US-20050260401-A1 Polymers with urea groups and silyl groups and production and use thereof HENKEL AG & CO. KGAA (DE) 2005-11-24 US disclosed
EP-0583581-B1 Process for making a silylisocyanurate OSI SPECIALTIES INC (US) 1997-05-28 EP disclosed
EP-0583581-A1 Process for making a silylisocyanurate OSi Specialties, Inc. (US) 1994-02-23 EP disclosed
US-5218133-A Process for making a silylisocyanurate UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-06-08 US disclosed
US-4238206-A TERTIARY AMINE OR CARBONATE SOLVENT COLUMBIA GAS SYSTEM SERVICE CORPORATION (US) 1980-12-09 US disclosed