SCHEMBL2645443

SCHEMBL2645443

COC(=O)/C(=C/CC1CCCC1)c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.38
CNR1 P21554 6/20 0.36
DDR1 Q08345 7/20 0.36
EPHX2 P34913 3/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL2645445 1.00 CNR2 (0.38) CNR2CNR1DDR1EPHX2TAS1R3
SCHEMBL2646527 0.89 AKR1C3 (0.36) CNR2CNR1DDR1EPHX2TAS1R3
SCHEMBL2646524 0.89 AKR1C3 (0.36) CNR2CNR1DDR1EPHX2TAS1R3
SCHEMBL2645675 0.83 CNR2 (0.39) CNR2CNR1EPHX2TAS1R3TAS1R1
SCHEMBL2645681 0.83 CNR2 (0.39) CNR2CNR1EPHX2TAS1R3TAS1R1
SCHEMBL2645877 0.83 CNR2 (0.39) CNR2CNR1EPHX2TAS1R3TAS1R1
SCHEMBL2645874 0.83 CNR2 (0.39) CNR2CNR1EPHX2TAS1R3TAS1R1
SCHEMBL2646037 0.80 KCNH2 (0.50) EPHX2
SCHEMBL2646038 0.80 KCNH2 (0.50) EPHX2
SCHEMBL2646052 0.79 KMT2A (0.47) EPHX2

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