SCHEMBL5566705

SCHEMBL5566705

CCSCCNCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.35
FFAR3 O14843 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
BLM P54132 1/20 0.32
EGLN1 Q9GZT9 2/20 0.31
CTH P32929 1/20 0.31

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
SCHEMBL12022925 0.83 TSHR (0.41) TSHRTDP1PKM
SCHEMBL7721748 0.80 LMNA (0.64) TSHRHSD17B10LMNAKMT2ATDP1
SCHEMBL7721691 0.80 CYP2D6 (0.48) TSHRHSD17B10LMNAKMT2ATDP1
SCHEMBL7720625 0.78 CYP2D6 (0.46) TSHRHSD17B10LMNAKMT2ATDP1
SCHEMBL161464 0.77
SCHEMBL12475448 0.77
SCHEMBL2185204 0.77 TSHR (0.52) TSHRHSD17B10LMNAKMT2ATDP1
SCHEMBL1251621 0.77 LMNA (0.41) TSHRHSD17B10LMNAKMT2ATDP1
SCHEMBL949060 0.75 TSHR (0.35) TSHRHSD17B10KMT2ATDP1PKM
SCHEMBL7719757 0.75 BHMT (0.49) TSHRHSD17B10LMNAKMT2ATDP1

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
EP-1737886-A2 COMPOUNDS THAT BLOCK THE C5A RECEPTOR AND THEIR USE IN THERAPY Alligator Bioscience AB (publ) (SE) 2007-01-03 EP disclosed
WO-2005100385-A2 COMPOUNDS THAT BLOCK THE C5A RECEPTOR AND THEIR USE IN THERAPY ALLIGATOR BIOSCIENCE AB (PUBL) (SE) 2005-10-27 WO disclosed
WO-2003006048-A1 COMBINATION OF CHIPS (CHEMOTAXIS INHIBITING PROTEIN FROM STAPHYLOCOCCUS AUREUS)-BASED COMPOUNDS JARI PHARMACEUTICALS B.V. (NL) 2003-01-23 WO disclosed