SCHEMBL6535618

SCHEMBL6535618

CC1=C(C)N(CC(=O)c2cc(O)ccc2O)CS1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA7 P43166 5/20 0.42
CA9 Q16790 5/20 0.42
CA14 Q9ULX7 5/20 0.42
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
CHRNA7 P36544 1/20 0.38
GAA P10253 3/20 0.36
HSP90AB1 P08238 1/20 0.36
NAAA Q02083 1/20 0.35
ACHE P22303 1/20 0.34
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
Bromide SCHEMBL3845855 0.99 CA12 (0.41) CA12CA1CA2CA7CA9
Bromide SCHEMBL3845872 0.88 HSP90AB1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL6535178 0.83 MGAM (0.45) CA12CA1CA2CA7CA9
Bromide SCHEMBL3850340 0.82 MGAM (0.44) CA12CA1CA2CA7CA9
SCHEMBL6535470 0.80 PTPN1 (0.43) GAAMEN1NPC1RAB9AKMT2A
Bromide SCHEMBL3845607 0.79 PTPN1 (0.42) GAAMEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL3846897 0.78 ALPG (0.58) L3MBTL1ALPLALPG
SCHEMBL3846303 0.78 MEN1 (0.39) ALOX5GAAMGAMAMY1ASI
SCHEMBL6535503 0.76 CA12 (0.39) CA12CA1CA2CA7CA9
Bromide SCHEMBL3849448 0.76 CA12 (0.36) CA12CA1CA2CA7CA9

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-1257272-A4 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-12-15 EP disclosed
EP-1257272-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-11-20 EP disclosed
WO-2001062250-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-08-30 WO disclosed