SCHEMBL2646183

SCHEMBL2646183

COC(=O)/C(=C/C1CCCCC1)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.58
THRB P10828 16/20 0.54
MAPT P10636 3/20 0.54
PPARG P37231 2/20 0.54
POLB P06746 2/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
VDR P11473 2/20 0.52
THRA P10827 2/20 0.48
PAX8 Q06710 1/20 0.44

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
SCHEMBL2646188 1.00 VCAM1 (0.58) VCAM1THRBMAPTPPARGPOLB
SCHEMBL2645744 0.88 VCAM1 (0.52) VCAM1THRBMAPTPPARGPOLB
SCHEMBL2645748 0.88 VCAM1 (0.52) VCAM1THRBMAPTPPARGPOLB
SCHEMBL2645570 0.81 GCK (0.40) VCAM1THRBMAPTPPARGPOLB
SCHEMBL2645574 0.81 GCK (0.40) VCAM1THRBMAPTPPARGPOLB
SCHEMBL2645675 0.80 CNR2 (0.39)
SCHEMBL2645874 0.80 CNR2 (0.39)
SCHEMBL2645877 0.80 CNR2 (0.39)
SCHEMBL2645681 0.80 CNR2 (0.39)
SCHEMBL2646742 0.80 KMT2A (0.52) MEN1KMT2A

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