SCHEMBL5314799

SCHEMBL5314799

C[C@H](NS(N)(=O)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.43
CA2 P00918 8/20 0.42
CA1 P00915 7/20 0.42
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
CA14 Q9ULX7 2/20 0.38
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL7319253 1.00 ADAMTS4 (0.43) ADAMTS4CA2CA1HTTMMP1
SCHEMBL18047580 0.77 ADAMTS4 (0.44) ADAMTS4CA2CA1HTTMMP1
SCHEMBL697448 0.77 ADAMTS4 (0.44) ADAMTS4CA2CA1HTTMMP1
SCHEMBL29633569 0.77 ADAMTS4 (0.44) ADAMTS4CA2CA1HTTMMP1
SCHEMBL697449 0.77 ADAMTS4 (0.44) ADAMTS4CA2CA1HTTMMP1
SCHEMBL5148621 0.77 ADAMTS4 (0.44) ADAMTS4CA2CA1HTTMMP1
SCHEMBL725182 0.77 ADAMTS4 (0.44) ADAMTS4CA2CA1HTTMMP1
SCHEMBL7477399 0.76 MMP2 (0.47) ADAMTS4CA2CA1MMP1MMP2
SCHEMBL7477404 0.76 MMP2 (0.47) ADAMTS4CA2CA1MMP1MMP2
Water SCHEMBL30998789 0.75 ADAMTS4 (0.43) ADAMTS4CA2CA1HTTMMP1

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
US-6232305-B1 ANTICANCER AGENTS; BONE DISORDERS; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS NAEJA PHARMACEUTICAL INC. (CA) 2001-05-15 US claimed
WO-2016029324-A1 AZASULFURYLPEPTIDE-BASED CD36 MODULATORS AND USES THEREOF RSEM, LIMITED PARTNERSHIP (CA) 2016-03-03 WO disclosed
WO-2007042611-A1 A METHOD FOR PRECIPITATING METAL OXIDES FROM AN AQUEOUS WASTE SOLUTION KEMIRA GROWHOW OYJ (FI) 2007-04-19 WO disclosed
WO-1996023813-A1 PEPTIDES AND COMPOUNDS THAT BIND TO SH2 DOMAINS AFFYMAX TECHNOLOGIES N.V. (AN) 1996-08-08 WO disclosed