SCHEMBL7258293

SCHEMBL7258293

COc1ccc([C@@H](N(CCCc2ccccc2)C(=O)OC(C)(C)C)S(N)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALOX5 P09917 2/20 0.43
MMP3 P08254 7/20 0.42
MMP1 P03956 6/20 0.41
MMP2 P08253 6/20 0.41
PDE4A P27815 6/20 0.41
PDE4B Q07343 6/20 0.41
PDE4C Q08493 6/20 0.41
PDE4D Q08499 6/20 0.41
BMP1 P13497 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6404630 1.00 L3MBTL1 (0.44) L3MBTL1ALOX5MMP3MMP1MMP2
SCHEMBL6401370 0.90 L3MBTL1 (0.40) L3MBTL1ALOX5MMP3MMP1MMP2
SCHEMBL7257821 0.90 L3MBTL1 (0.39) L3MBTL1
SCHEMBL6403166 0.90 L3MBTL1 (0.39) L3MBTL1
SCHEMBL6407163 0.82 CA1 (0.42) L3MBTL1ALOX5MMP3MMP1MMP2
SCHEMBL6409442 0.82 SLC7A5 (0.39) L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6408723 0.79 CA1 (0.41) ALOX5MMP3MMP1MMP2PDE4A
SCHEMBL6404802 0.78 CASR (0.38) KMT2AMEN1ALDH1A1
SCHEMBL22327659 0.75 L3MBTL1 (0.43) L3MBTL1MMP3MMP2KMT2AMEN1
SCHEMBL5440422 0.74 CTSK (0.46) MMP3MMP1MMP2PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO disclosed