SCHEMBL7380207

SCHEMBL7380207

CC(C)C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)NC(C)(C)CCCN1CCCC(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 3/20 0.41
MMP9 P14780 2/20 0.41
MMP10 P09238 1/20 0.41
HRH3 Q9Y5N1 5/20 0.40
KCNH2 Q12809 1/20 0.39
AIMP2 Q13155 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CACNA1B Q00975 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL6580313 0.73 CTSK (0.56) MMP7MMP9MMP10HRH3AIMP2
SCHEMBL6580632 0.69 CACNA1B (0.50) MMP7MMP9MMP10AIMP2MEN1
SCHEMBL29885303 0.66 MAPT (0.59) MMP7MMP9MMP10AIMP2MEN1
SCHEMBL31086808 0.65 MMP7 (0.56) MMP7MMP9MMP10AIMP2MEN1
SCHEMBL5850011 0.62 GAA (0.48) MMP7MMP9MEN1KMT2AL3MBTL1
SCHEMBL6096482 0.61 HTR7 (0.61) KCNH2
SCHEMBL5180596 0.61 MMP7 (0.76) MMP7MMP9MMP10L3MBTL1MMP1
SCHEMBL31086829 0.61 ALDH1A1 (0.68) MMP7MMP9AIMP2MEN1KMT2A
SCHEMBL7062934 0.61 ALDH1A1 (0.68) MMP7MMP9AIMP2MEN1KMT2A
SCHEMBL15252003 0.61 ALDH1A1 (0.68) MMP7MMP9AIMP2MEN1KMT2A

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-0936912-A4 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 1999-10-13 EP claimed
EP-0936912-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-08-25 EP claimed
WO-1998005336-A1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1998-02-12 WO claimed