SCHEMBL1683253

SCHEMBL1683253

CC(=O)CC(=O)NCCOC(=O)CC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.44
GAA P10253 2/20 0.44
SI P14410 2/20 0.44
MGAM2 Q2M2H8 2/20 0.44
TSHR P16473 2/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
FAAH O00519 1/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL20954435 0.85 MTNR1A (0.47) MGAMGAASIMGAM2TSHR
SCHEMBL14890563 0.85 FAAH (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL14890446 0.85 MGAM (0.34) MGAMGAASIMGAM2TSHR
SCHEMBL14890445 0.83 FAAH (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL2249679 0.82 CHRM2 (0.41) MGAMGAASIMGAM2TSHR
SCHEMBL2701579 0.79 GAA (0.60) MGAMGAASIMGAM2TSHR
SCHEMBL2531723 0.79 THRB (0.47) MGAMGAASIMGAM2TSHR
SCHEMBL4008109 0.79 L3MBTL1 (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL196382 0.79 MGAM (0.40) MGAMGAASIMGAM2TSHR
SCHEMBL10658380 0.78 GAA (0.48) MGAMGAASIMGAM2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1254722-A None JP disclosed
JP-1254723-A None JP disclosed
JP-2191633-A None JP disclosed
US-7919540-B2 Lightweight, isocyanate-free materials; nonirritating and noninflammatory to eyes, skin and mucous membranes; reaction product of multifunctional acrylate monomers with multifunctional acetoacetates, cyanoacetates and/or acetoacetamides ROHM AND HAAS COMPANY (US) 2011-04-05 US disclosed
EP-1939241-B1 Rigid, Low Density Foam ROHM & HAAS (US) 2010-01-13 EP disclosed
EP-1939241-A1 Rigid, Low Density Foam Rohm and Haas Company (US) 2008-07-02 EP disclosed
US-20080132596-A1 Rigid, low density foam ROHM AND HAAS COMPANY 2008-06-05 US disclosed
JP-H02191633-A COMPOSITION HAVING CURING ACCELERATING ACTION SHOWA HIGHPOLYMER CO LTD 1990-07-27 JP disclosed
JP-H01254722-A CURE PROMOTION OF RADICALLY CURABLE RESIN SHOWA HIGHPOLYMER CO LTD 1989-10-11 JP disclosed
JP-H01254723-A CURE PROMOTION OF RADICALLY CURABLE RESIN SHOWA HIGHPOLYMER CO LTD 1989-10-11 JP disclosed