SCHEMBL3513290

SCHEMBL3513290

O=C(O)C(CS)N(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
SLC7A11 Q9UPY5 1/20 0.40
ENPEP Q07075 4/20 0.36
FOLH1 Q04609 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
THRB P10828 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CPB2 Q96IY4 2/20 0.32
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ABCB11 O95342 1/20 0.30
F2 P00734 1/20 0.30

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
SCHEMBL3513292 1.00 PTGS1 (0.40) PTGS1SLC7A11ENPEPFOLH1KDM4E
SCHEMBL28479862 0.88 KDM4E (0.39) PTGS1SLC7A11ENPEPFOLH1KDM4E
SCHEMBL1054858 0.80 KDM4E (0.40) PTGS1SLC7A11ENPEPFOLH1KDM4E
SCHEMBL9122150 0.80 KDM4E (0.40) PTGS1SLC7A11ENPEPFOLH1KDM4E
SCHEMBL1054855 0.80 KDM4E (0.40) PTGS1SLC7A11ENPEPFOLH1KDM4E
SCHEMBL28327446 0.78 KDM4E (0.39) PTGS1SLC7A11ENPEPFOLH1KDM4E
SCHEMBL9802393 0.77 PTGS1 (0.34) PTGS1SLC7A11ENPEPFOLH1KDM4E
SCHEMBL29349420 0.77 PTGS1 (0.39) PTGS1SLC7A11ENPEPFOLH1CPB2
SCHEMBL7790458 0.77 PTGS1 (0.39) PTGS1SLC7A11ENPEPFOLH1CPB2
SCHEMBL9802385 0.77 PTGS1 (0.34) PTGS1SLC7A11ENPEPFOLH1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329176-A1 INDIRECTLY LABELLED ASSAY CONJUGATES AND METHODS OF PREPARING AND USING SAME ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-20100279432-A1 INDIRECTLY LABELLED ASSAY CONJUGATES AND METHODS OF PREPARING AND USING SAME ABBOTT LABORATORIES (US) 2010-11-04 US disclosed
US-20090068635-A1 INDIRECTLY LABELLED ASSAY CONJUGATES AND METHODS OF PREPARING AND USING SAME ABBOTT LABORATORIES 2009-03-12 US disclosed