SCHEMBL8087637

SCHEMBL8087637

NCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
SLC1A3 P43003 1/20 0.63
SLC1A2 P43004 1/20 0.63
SLC1A1 P43005 1/20 0.63
MMP9 P14780 9/20 0.59
MMP7 P09237 3/20 0.59
MMP10 P09238 1/20 0.59
MMP2 P08253 9/20 0.56
MMP1 P03956 2/20 0.56
MMP13 P45452 2/20 0.56
MMP3 P08254 1/20 0.56
EEF2K O00418 4/20 0.55
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
MMP14 P50281 1/20 0.49
ADAMTS4 O75173 2/20 0.48

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
SCHEMBL4927384 0.86 MMP7 (0.74) L3MBTL1SLC1A3SLC1A2SLC1A1MMP9
SCHEMBL4927389 0.86 MMP7 (0.74) L3MBTL1SLC1A3SLC1A2SLC1A1MMP9
SCHEMBL7375788 0.84 SLC1A3 (0.66) L3MBTL1SLC1A3SLC1A2MMP9MMP7
SCHEMBL7375346 0.84 SLC1A3 (0.60) L3MBTL1SLC1A3SLC1A2SLC1A1MMP9
Trifluoroacetic Acid SCHEMBL7653125 0.83 SLC1A3 (0.53) L3MBTL1SLC1A3SLC1A2SLC1A1MMP9
SCHEMBL5191038 0.82 L3MBTL1 (0.80) L3MBTL1MMP9MMP7MMP2MMP1
Trifluoroacetic Acid SCHEMBL7649357 0.82 MMP2 (0.65) SLC1A3SLC1A2SLC1A1MMP9MMP7
SCHEMBL6500230 0.82 MMP2 (0.61) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL383079 0.82 MMP2 (0.61) SLC1A3SLC1A2SLC1A1MMP9MMP2
Trifluoroacetic Acid SCHEMBL7656969 0.81 SLC1A3 (0.62) L3MBTL1SLC1A3SLC1A2MMP9MMP7

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-1051625-A1 ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES Du Pont Pharmaceuticals Company (US) 2000-11-15 EP disclosed
WO-1999038014-A1 ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-29 WO disclosed