SCHEMBL2050113

SCHEMBL2050113

CCCCCC(O)CC(=O)OC(CCC)CC(=O)OC(C)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.54
FFAR4 Q5NUL3 1/20 0.42
FFAR1 O14842 1/20 0.42
CYP1A2 P05177 3/20 0.41
MAPK1 P28482 4/20 0.40
GMNN O75496 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
HSP90AA1 P07900 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
GLA P06280 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL2032901 0.94 GPR84 (0.48) GPR84FFAR4FFAR1CYP1A2MAPK1
SCHEMBL2038291 0.93 GPR84 (0.50) GPR84FFAR4FFAR1CYP1A2MAPK1
SCHEMBL2036847 0.92 GPR84 (0.44) GPR84FFAR4FFAR1CYP1A2MAPK1
SCHEMBL1684032 0.92 GPR84 (0.64) GPR84FFAR4FFAR1CYP1A2FAAH
SCHEMBL4960931 0.91 GPR84 (0.50) GPR84FFAR4FFAR1CYP1A2MAPK1
SCHEMBL1684037 0.90 GPR84 (0.67) GPR84FFAR4FFAR1CYP1A2MAPK1
SCHEMBL28417722 0.90 GPR84 (0.67) GPR84FFAR4FFAR1CYP1A2MAPK1
SCHEMBL21628954 0.90 GPR84 (0.67) GPR84FFAR4FFAR1CYP1A2MAPK1
SCHEMBL28417845 0.90 GPR84 (0.67) GPR84FFAR4FFAR1CYP1A2MAPK1
SCHEMBL28210394 0.90 GPR84 (0.67) GPR84FFAR4FFAR1CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1785444-B1 Method for producing a biopolyester with thermal stability RIKEN (JP) 2015-02-25 EP disclosed
US-8894762-B2 Phase change ink comprising a polyhydroxyalkanoate compound XEROX CORPORATION (US) 2014-11-25 US disclosed
US-20140083325-A1 Phase Change Ink Comprising A Polyhydroxyalkanoate Compound XEROX CORPORATION (US) 2014-03-27 US disclosed
US-8450448-B2 Thermostable biopolyester RIKEN (JP) 2013-05-28 US disclosed
US-20120136135-A1 THERMOSTABLE BIOPOLYESTER RIKEN (JP) 2012-05-31 US disclosed
US-8002399-B2 Solid inks incorporating a polyhydroxyalkanoate compound for enhanced properties XEROX CORPORATION (US) 2011-08-23 US disclosed
US-20110130502-A1 SOLID INKS INCORPORATING A POLYHYDROXYALKANOATE COMPOUND FOR ENHANCED PROPERTIES XEROX CORPORATION (US) 2011-06-02 US disclosed
US-20080207870-A1 Thermostable Biopolyester RIKEN (JP) 2008-08-28 US disclosed
EP-1785444-A1 BIOPOLYESTER WITH THERMAL STABILITY Riken (JP) 2007-05-16 EP disclosed
EP-0560984-B1 FLEXIBLE MEMBER FOR MEDICAL USE TERUMO CORP (JP) 1999-05-26 EP disclosed
US-5480394-A POLYLACTONE, GLYCERIDE, BLOOD BAG TERUMO KABUSHIKI KAISHA (JP) 1996-01-02 US disclosed
EP-0560984-A1 FLEXIBLE MEMBER FOR MEDICAL USE TERUMO KABUSHIKI KAISHA (JP) 1993-09-22 EP disclosed