SCHEMBL3513295

SCHEMBL3513295

NC(C(=O)O)(C(=O)O)C(S)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
ABCB11 O95342 1/20 0.38
F2 P00734 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
PTGS1 P23219 2/20 0.33
RNPEP Q9H4A4 2/20 0.33
ENPEP Q07075 1/20 0.32

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
SCHEMBL6014737 0.69 ALDH1A1 (0.41) HPGDHSD17B10TDP1ALDH1A1MAPT
SCHEMBL5585123 0.69 PTGS1 (0.46) ALDH1A1MAPTPTGS1SLC7A11
SCHEMBL28661351 0.69 HPGD (0.40) HPGDHSD17B10TDP1ALDH1A1MAPT
SCHEMBL300184 0.67
SCHEMBL9273466 0.67 ALDH1A1 (0.45) HPGDHSD17B10TDP1ALDH1A1MAPT
SCHEMBL14603511 0.66 ODC1 (0.36) TDP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL4325459 0.65
SCHEMBL11386829 0.65
SCHEMBL7613000 0.65 CYP1A2 (0.43) ALDH1A1MAPTMEN1KMT2APTGS1
SCHEMBL22980744 0.63

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