SCHEMBL2645672

SCHEMBL2645672

CCOC(=O)C(CC(C)C)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
POLB P06746 2/20 0.43
ABCC1 P33527 1/20 0.42
CYP3A4 P08684 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 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
SCHEMBL1201984 0.85 CA12 (0.51) SMN1; SMN2LMNACA12CA1CA2
SCHEMBL11830061 0.85 LMNA (0.49) L3MBTL1SMN1; SMN2LMNAHTTCA12
SCHEMBL4517176 0.85 L3MBTL1 (0.49) FFAR2L3MBTL1SMN1; SMN2LMNAHTT
SCHEMBL27810662 0.84 MAPT (0.47) SMN1; SMN2LMNAALDH1A1TDP1MAPT
SCHEMBL27995630 0.83 MMP8 (0.51) SMN1; SMN2LMNACYP3A4ABCB11CYP1A2
SCHEMBL2648915 0.83 SLC6A3 (0.50) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL27665538 0.82 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2LMNAHTTCA12
SCHEMBL1246313 0.81 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2LMNAHTTCA12
SCHEMBL659191 0.81 L3MBTL1 (0.52) L3MBTL1LMNACA12CA1CA2
SCHEMBL11860076 0.81 ESR1 (0.54) L3MBTL1LMNAHTTCA12CA1

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 6 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
CN-1151140-C Glucokinase activators - 2004-05-26 CN 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
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN 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