SCHEMBL5916680

SCHEMBL5916680

CCCCOC(CC)COC(=O)OCC(CC)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.40
ATM Q13315 2/20 0.39
LPAR1 Q92633 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
DNM1 Q05193 1/20 0.37
TLR2 O60603 2/20 0.37
PRKCA P17252 1/20 0.37
PRKCE Q02156 1/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 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
SCHEMBL1469665 0.96 ALDH1A1 (0.44) ALDH1A1LMNAATMLPAR1LPAR3
SCHEMBL1469298 0.95 ALDH1A1 (0.45) ALDH1A1LMNAATMLPAR1LPAR3
SCHEMBL1470094 0.93 CA1 (0.42) ALDH1A1LMNAATMLPAR1LPAR3
SCHEMBL1469297 0.92 NAAA (0.44) ALDH1A1LMNALPAR1LPAR3TSHR
SCHEMBL5476615 0.90 CA2 (0.38) ALDH1A1LMNAATMLPAR1LPAR3
SCHEMBL1469370 0.87 ALDH1A1 (0.42) ALDH1A1LMNAATMTSHRHPGD
SCHEMBL6523890 0.87 ALDH1A1 (0.55) ALDH1A1LMNAATMLPAR1LPAR3
SCHEMBL5480471 0.87 ALDH1A1 (0.41) ALDH1A1LMNAATMLPAR1LPAR3
SCHEMBL1470381 0.86 LPAR1 (0.42) ALDH1A1LMNAATMLPAR1LPAR3
SCHEMBL446039 0.85 NAAA (0.48) ALDH1A1LMNAATMLPAR1LPAR3

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-8435681-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2013-05-07 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