SCHEMBL9780221

SCHEMBL9780221

COC(=O)CNC(=O)[C@@H](N)CS

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.44
RECQL P46063 1/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MMP2 P08253 1/20 0.41
PTGS1 P23219 2/20 0.40
SLC7A11 Q9UPY5 1/20 0.40
BIRC2 Q13490 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.36
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
PGGT1B P53609 1/20 0.35
SLC1A1 P43005 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL9780217 1.00 TET2 (0.44) TET2RECQLTSHRHSD17B10MMP2
SCHEMBL22206264 0.86 MMP2 (0.41) HSD17B10MMP2PTGS1SLC7A11GSTK1
SCHEMBL18257486 0.84 MMP2 (0.38) MMP2PTGS1SLC7A11GSTK1FNTA
SCHEMBL672960 0.84 GAA (0.46) TSHRMMP2PTGS1SLC7A11KDM4E
SCHEMBL18257464 0.84 MMP2 (0.38) MMP2PTGS1SLC7A11GSTK1FNTA
SCHEMBL2077913 0.82 TET2 (0.45) TET2RECQLTSHRHSD17B10BIRC2
SCHEMBL3274173 0.82 TET2 (0.45) TET2RECQLTSHRHSD17B10BIRC2
SCHEMBL3274175 0.82 TET2 (0.45) TET2RECQLTSHRHSD17B10BIRC2
SCHEMBL31276860 0.82 TET2 (0.45) TET2RECQLTSHRHSD17B10BIRC2
SCHEMBL14031407 0.82 TET2 (0.45) TET2RECQLTSHRHSD17B10BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1164737-C Preparation of gamma-polyglutamic acid and its salt and glutathione and its precursor by using Bacillus subtilis NX-2 �Ͼ���ҵ��ѧ 2004-09-01 CN disclosed
CN-1425762-A Preparation of gamma-polyglutamic acid and its salt and glutathione and its precursor by using Bacillus subtilis NX-2 UNIV NANJING POLYTECHNIC (CN) 2003-06-25 CN disclosed
EP-0206741-B1 LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1991-04-10 EP disclosed
US-4990526-A Skin disorders, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1991-02-05 US disclosed