SCHEMBL3387361

SCHEMBL3387361

O=COC(=O)CC(O)CCCCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.38
PTPN1 P18031 1/20 0.35
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.30
TRPA1 O75762 1/20 0.30
PSMD14 O00487 2/20 0.30
PLA2G1B P04054 2/20 0.30
MMP2 P08253 2/20 0.30
ATG4B Q9Y4P1 2/20 0.30
HSP90AA1 P07900 1/20 0.30
RAD52 P43351 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL3391581 0.98 GPR84 (0.35) GPR84PTPN1USP2ALDH1A1CYP3A4
SCHEMBL2161926 0.93 PTPN1 (0.33) GPR84PTPN1
SCHEMBL2160745 0.85 THRB (0.37)
SCHEMBL3389767 0.79 GPR84 (0.34) GPR84ALDH1A1MAPT
SCHEMBL3391438 0.78 PTPN1 (0.31) PTPN1
SCHEMBL21552021 0.78 L3MBTL1 (0.45) GPR84PTPN1HPGDL3MBTL1PSMD14
SCHEMBL21552308 0.78 L3MBTL1 (0.45) GPR84PTPN1HPGDL3MBTL1PSMD14
SCHEMBL21551856 0.78 L3MBTL1 (0.45) GPR84PTPN1HPGDL3MBTL1PSMD14
SCHEMBL3379498 0.78 L3MBTL1 (0.45) GPR84PTPN1HPGDL3MBTL1PSMD14
SCHEMBL28193735 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729365-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES (JP) 2010-12-22 EP disclosed
US-20080241704-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD (JP) 2008-10-02 US disclosed
EP-1729365-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2006-12-06 EP disclosed