SCHEMBL3423192

SCHEMBL3423192

C=C(CCCCC)C(=O)OCCOC(=O)C(=C)CCCCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.55
TSHR P16473 7/20 0.55
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
AKR1B1 P15121 1/20 0.43
THRB P10828 1/20 0.42
DNM1 Q05193 1/20 0.42
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
GPR84 Q9NQS5 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL11142420 0.94 TSHR (0.53) DGKATSHRCES2CES1AKR1B1
SCHEMBL3502248 0.94 TSHR (0.58) DGKATSHRCES2CES1AKR1B1
SCHEMBL170886 0.94 TSHR (0.52) DGKATSHRCES2CES1THRB
SCHEMBL4537822 0.92 TSHR (0.67) DGKATSHRCES2CES1PPARG
SCHEMBL6357524 0.92 TSHR (0.67) DGKATSHRCES2CES1PPARG
SCHEMBL1133209 0.92 TSHR (0.67) DGKATSHRCES2CES1PPARG
SCHEMBL5309960 0.92 TSHR (0.67) DGKATSHRCES2CES1PPARG
SCHEMBL1093904 0.92 TSHR (0.61) DGKATSHRCES2CES1PPARG
SCHEMBL21581917 0.92 TSHR (0.67) DGKATSHRCES2CES1PPARG
SCHEMBL20604283 0.92 TSHR (0.67) DGKATSHRCES2CES1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794261-A1 LOW TEMPERATURE SEALING FILMS E. I. Du Pont de Nemours and Company (US) 2014-10-29 EP disclosed
US-8497326-B2 Antistatic ionomer composition and articles therewith E I DU PONT DE NEMOURS AND COMPANY (US) 2013-07-30 US disclosed
WO-2013096608-A1 LOW TEMPERATURE SEALING FILMS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-06-27 WO disclosed
US-20130164516-A1 LOW TEMPERATURE SEALING FILMS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-27 US disclosed
US-20120164466-A1 POWDER COATING COMPOSITION FOR THERMOPLASTIC COMPOSITES E.I. DU PONT DE NEMOURS AND COMPANY DUPONT POLYMER POWDERS SWITZERLAND SARL (US) 2012-06-28 US disclosed
WO-2010030646-A1 ANTISTATIC IONOMER COMPOSITION AND ARTICLES THEREWITH E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-18 WO disclosed
US-20100062275-A1 ANTISTATIC IONOMER COMPOSITION AND ARTICLES THEREWITH E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-11 US disclosed