SCHEMBL2645570

SCHEMBL2645570

COC(=O)/C(=C/C1CCCC1)c1ccc(S(C)(=O)=O)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.40
VCAM1 P19320 1/20 0.35
KMT2A Q03164 4/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 2/20 0.34
PPARG P37231 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX12 P18054 1/20 0.33
VDR P11473 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
NOTUM Q6P988 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL2645574 1.00 GCK (0.40) GCKVCAM1KMT2AMAPTTHRB
SCHEMBL2645973 0.87 GCK (0.38) GCKKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL2645977 0.87 GCK (0.38) GCKKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL2645874 0.84 CNR2 (0.39) GCKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2645681 0.84 CNR2 (0.39) GCKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2645877 0.84 CNR2 (0.39) GCKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2645675 0.84 CNR2 (0.39) GCKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2646188 0.81 VCAM1 (0.58) VCAM1KMT2AMAPTTHRBPPARG
SCHEMBL2646183 0.81 VCAM1 (0.58) VCAM1KMT2AMAPTTHRBPPARG
SCHEMBL2649604 0.80 GCK (0.38) GCKVCAM1KMT2AMAPTTHRB

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-1242397-B1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
EP-1242397-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6353111-B1 WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES; 2,3-DI-SUBSTITUTED TRANS OLEFINIC N-HETEROAROMATIC OR URIDO PROPIONAMIDES: THE SUBSTITUTION AT THE 2-POSITION BEING A SUBSTITUTED PHENYL GROUP AND AT THE 3-POSITION A HOFFMANN-LA ROCHE INC. 2002-03-05 US disclosed
WO-2001044216-A1 TRANS OLEFINIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 WO disclosed