SCHEMBL2032940

SCHEMBL2032940

CC(CC(=O)O)OC(=O)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.37
LMNA P02545 6/20 0.36
MAPK1 P28482 5/20 0.36
MAPT P10636 4/20 0.36
GMNN O75496 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MEN1 O00255 2/20 0.36
HSP90AA1 P07900 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
GLA P06280 1/20 0.35
PMP22 Q01453 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL29124665 0.89 CYP1A2 (0.40) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL28285776 0.88 CAMK2A (0.43) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL727455 0.88 CAMK2A (0.43) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL2797988 0.86 CYP1A2 (0.44) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL2526939 0.85 CYP1A2 (0.49) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL4362567 0.83 ALDH1A1 (0.44) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL20581480 0.83 ALDH1A1 (0.44) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL4361342 0.83 MMP1 (0.36) CYP1A2LMNAMAPK1MAPTGMNN
SCHEMBL1743788 0.82 GABRP (0.43) CYP1A2LMNATSHR
SCHEMBL25527286 0.82 ACE (0.40) CYP1A2LMNAMAPK1MAPTGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111093624-A Drug delivery compositions PK医疗公司 2020-05-01 CN disclosed
CN-111065378-A Method of making a drug delivery composition PK医疗公司 2020-04-24 CN disclosed
CN-102597107-B Toughness reinforcing poly (hydroxyalkanoate) ester composition METABOLIX, INC. (US) 2015-09-16 CN disclosed
CN-104755538-A Bio-Based Rubber Modifiers for Polymer Blends METABOLIX INC 2015-07-01 CN disclosed
EP-1785444-B1 Method for producing a biopolyester with thermal stability RIKEN (JP) 2015-02-25 EP disclosed
CN-104379671-A Bio-based Rubber Modified Biodegradable Polymer Blends METABOLIX INC 2015-02-25 CN 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-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-1049784-B1 POLYHYDROXYALKANOATE BIOSYNTHESIS-RELATED GENES DERIVED FROM ALCALIGENES LATUS LG CHEMICAL LTD (KR) 2005-04-20 EP disclosed
US-6649382-B1 Culturing cell transformed with a expression vector comprising DNA fragment with three open reading frames; synthase, beta-ketothiolase and acetoacetyl-CoA reductase; biodegradable LG CHEMICAL LTD. (KR) 2003-11-18 US disclosed
EP-1049784-A1 POLYHYDROXYALKANOATE BIOSYNTHESIS-RELATED GENES DERIVED FROM ALCALIGENES LATUS LG CHEMICAL LTD. (KR) 2000-11-08 EP disclosed
WO-1999036547-A1 POLYHYDROCYALKANOATE BIOSYNTHESIS-RELATED GENES DERIVED FROM $i(ALCALIGENES LATUS) LG CHEMICAL LTD. (KR) 1999-07-22 WO 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