SCHEMBL2647608

SCHEMBL2647608

COC(=O)/C(=C/C1CCCCCCC1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
GCK P35557 1/20 0.47
AKR1C3 P42330 5/20 0.43
PTGS2 P35354 4/20 0.40
MEN1 O00255 1/20 0.40
EPHX2 P34913 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL2646742 1.00 KMT2A (0.52) KMT2AGCKAKR1C3PTGS2MEN1
SCHEMBL2646747 1.00 KMT2A (0.52) KMT2AGCKAKR1C3PTGS2MEN1
SCHEMBL2648505 1.00 KMT2A (0.52) KMT2AGCKAKR1C3PTGS2MEN1
SCHEMBL2647611 1.00 KMT2A (0.52) KMT2AGCKAKR1C3PTGS2MEN1
SCHEMBL2648509 1.00 KMT2A (0.52) KMT2AGCKAKR1C3PTGS2MEN1
SCHEMBL1582018 0.86 KMT2A (0.46) KMT2AGCKAKR1C3PTGS2
SCHEMBL1582021 0.86 KMT2A (0.46) KMT2AGCKAKR1C3PTGS2
SCHEMBL2645359 0.85 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2645355 0.85 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2646015 0.85 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1

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