SCHEMBL2628236

SCHEMBL2628236

COC(=O)N[C@@H](CCN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.43
FOLH1 Q04609 12/20 0.42
TGFBR1 P36897 1/20 0.40
RIMKLA Q8IXN7 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
GGT1 P19440 1/20 0.37
SLC6A5 Q9Y345 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTH P32929 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
SCHEMBL9716637 0.89 FOLH1 (0.51) FOLH1TGFBR1SLC6A5
SCHEMBL9716635 0.89 FOLH1 (0.51) FOLH1TGFBR1SLC6A5
SCHEMBL9716631 0.89 FOLH1 (0.51) FOLH1TGFBR1SLC6A5
SCHEMBL9698704 0.87 FOLH1 (0.58) FOLH1SLC6A5
SCHEMBL3435138 0.87 FOLH1 (0.58) FOLH1SLC6A5
Hydrochloric Acid SCHEMBL31741284 0.85 FOLH1 (0.57) FOLH1SLC6A5
SCHEMBL14932839 0.84 GABRR1 (0.34) GABRR1ALOX15
SCHEMBL14302360 0.83 TGFBR1 (0.42) FOLH1TGFBR1NAALAD2KDM4EMAPT
SCHEMBL303956 0.82 CTSK (0.49)
SCHEMBL2612149 0.82 CTSK (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed