SCHEMBL2646052

SCHEMBL2646052

COC(=O)/C(=C/CC1CCCC1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
AKR1C3 P42330 4/20 0.41
MEN1 O00255 1/20 0.40
CA2 P00918 1/20 0.39
PTGS2 P35354 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
PTGES O14684 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
EPHX2 P34913 1/20 0.38
POLB P06746 1/20 0.38
RORC P51449 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
SCHEMBL2646055 1.00 KMT2A (0.47) KMT2AAKR1C3MEN1CA2PTGS2
SCHEMBL1581391 0.87 KMT2A (0.44) KMT2AAKR1C3MEN1CA2EPHX2
SCHEMBL1581394 0.87 KMT2A (0.44) KMT2AAKR1C3MEN1CA2EPHX2
SCHEMBL2645319 0.86 AKR1C3 (0.54) KMT2AAKR1C3PTGS2
SCHEMBL2645317 0.86 AKR1C3 (0.54) KMT2AAKR1C3PTGS2
SCHEMBL2646450 0.80 AKR1C3 (0.48) AKR1C3PTGS2
SCHEMBL2646447 0.80 AKR1C3 (0.48) AKR1C3PTGS2
SCHEMBL2648505 0.80 KMT2A (0.52) KMT2AAKR1C3MEN1PTGS2EPHX2
SCHEMBL2648509 0.80 KMT2A (0.52) KMT2AAKR1C3MEN1PTGS2EPHX2
SCHEMBL2646742 0.80 KMT2A (0.52) KMT2AAKR1C3MEN1PTGS2EPHX2

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