SCHEMBL7874063

SCHEMBL7874063

CC(C)(C)OC(=O)CC[S+]([O-])c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPN1 P18031 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRMT1 Q99873 1/20 0.43
PGR P06401 1/20 0.43
LMNA P02545 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL28859014 0.84 MTNR1A (0.36) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL7870681 0.82 PTPN1 (0.53) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL28955975 0.79 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL7868847 0.78 FFAR1 (0.38) NPC1RAB9ASMN1; SMN2HTT
SCHEMBL7868817 0.78 PRMT1 (0.53) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL28501343 0.77 HDAC8 (0.34) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL29039870 0.76 NOD2 (0.38) MAPTPTPN1LMNAALDH1A1HTT
SCHEMBL7866973 0.76 KMT2A (0.52) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL28510605 0.76 GAA (0.39) MAPTMEN1KMT2AGAAMAPK1
SCHEMBL28507196 0.76 NPC1 (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed