SCHEMBL4431772

SCHEMBL4431772

C=CC(=O)Nc1ccc(OC(C)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.70
LMNA P02545 2/20 0.56
F13A1 P00488 1/20 0.56
TGM1 P22735 1/20 0.56
TGM3 Q08188 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 1/20 0.53
MAP2K7 O14733 1/20 0.49
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EPHX2 P34913 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL18753609 0.85 TGM2 (0.64) TGM2LMNAF13A1TGM1TGM3
SCHEMBL29277083 0.82 PTGS2 (0.55) TGM2LMNAF13A1TGM1TGM3
SCHEMBL782552 0.82 TGM2 (1.00) TGM2LMNAF13A1TGM1TGM3
SCHEMBL21300143 0.82 TGM2 (0.64) TGM2LMNAF13A1TGM1TGM3
SCHEMBL14341775 0.82 TGM2 (0.86) TGM2LMNAF13A1TGM1TGM3
SCHEMBL439369 0.81 TGM2 (0.79) TGM2LMNAF13A1TGM1TGM3
SCHEMBL9006430 0.80 TGM2 (0.61) TGM2LMNAF13A1TGM1TGM3
SCHEMBL10504965 0.80 TGM2 (0.60) TGM2LMNAF13A1TGM1TGM3
SCHEMBL6358305 0.80 TGM2 (0.71) TGM2LMNAF13A1TGM1TGM3
Diacetamate SCHEMBL863106 0.80 KMT2A (0.81) LMNAMEN1KMT2AGAAALDH1A1

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
EP-3284469-B1 COMPOSITIONS AND METHODS FOR DETECTION OF LYSOSOMAL STORAGE DISEASE GENZYME CORP (US) 2020-11-04 EP disclosed
EP-3284469-A2 COMPOSITIONS AND METHODS FOR DETECTION OF LYSOSOMAL STORAGE DISEASE Genzyme Corporation (US) 2018-02-21 EP disclosed
EP-2535050-B1 Compositions and methods for detection of lysosomal storage disease GENZYME CORP (US) 2017-07-05 EP disclosed
US-8431335-B2 Glucosyl ceramide, sodium taurocholate, and buffer; bioassays GENZYME CORPORATION (US) 2013-04-30 US disclosed
EP-2535050-A2 Compositions and methods for detection of lysosomal storage disease GENZYME CORPORATION (US) 2012-12-19 EP disclosed
EP-2061477-A2 COMPOSITIONS AND METHODS FOR DETECTION OF LYSOSOMAL STORAGE DISEASE Genzyme Corporation (US) 2009-05-27 EP disclosed
US-20080248512-A1 Methods for detection of lysosomal storage disease GENZYME CORPORATION (US) 2008-10-09 US disclosed
US-20080248513-A1 Methods for detection of lysosomal storage disease GENZYME CORPORATION 2008-10-09 US disclosed
US-20080145836-A1 Compositions and methods for detection of lysosomal storage disease GENZYME CORPORATION (US) 2008-06-19 US disclosed
WO-2008033427-A2 COMPOSITIONS AND METHODS FOR DETECTION OF LYSOSOMAL STORAGE DISEASE GENZYME CORPORATION (US) 2008-03-20 WO disclosed