SCHEMBL2645258

SCHEMBL2645258

COC(=O)C(CC1CCCC1)c1ccc(SC)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
RAB9A P51151 1/20 0.39
GCK P35557 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SLC6A3 Q01959 2/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL28819817 0.86 SLC6A4 (0.40) GCKALDH1A1HPGD
SCHEMBL2645380 0.85 SLC6A3 (0.40) ESR1ESR2GCKL3MBTL1SLC6A3
SCHEMBL2646161 0.85 AKR1C3 (0.40) GCKALDH1A1HPGD
SCHEMBL1107404 0.85 AKR1C3 (0.40) GCKALDH1A1HPGD
SCHEMBL12742235 0.85 GCK (0.38) ESR1ESR2GCKALDH1A1HPGD
SCHEMBL2645826 0.83 L3MBTL1 (0.56) ESR1ESR2RAB9AL3MBTL1SLC6A3
SCHEMBL2645875 0.83 POLB (0.46) ESR1ESR2RAB9AGCKL3MBTL1
SCHEMBL2648101 0.83 SLC6A3 (0.52) ESR1ESR2GCKL3MBTL1SLC6A3
SCHEMBL1418963 0.83 SLC6A3 (0.50) SLC6A3ALDH1A1
SCHEMBL2646358 0.82 MEN1 (0.45) ESR1ESR2L3MBTL1ALDH1A1

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
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 WO disclosed