SCHEMBL1668313

SCHEMBL1668313

OB(O)c1cccc(C(F)(F)F)c1.OB(O)c1cccc(F)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.85
ENPP2 Q13822 3/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
TRPV6 Q9H1D0 2/20 0.43
CES2 O00748 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL4995 0.92 MGLL (1.00) MGLLENPP2HTR3EHTR3BHTR3A
SCHEMBL4933 0.84 ENPP2 (0.58) MGLLENPP2CES2KDM4EALDH1A1
SCHEMBL29547555 0.84 ENPP2 (0.58) MGLLENPP2CES2KDM4EALDH1A1
SCHEMBL1668314 0.82 MGLL (0.58) MGLLHTR3EHTR3BHTR3AHTR3D
Ethylene SCHEMBL4455146 0.80 ENPP2 (0.54) MGLLENPP2CES2KDM4EALDH1A1
SCHEMBL168760 0.80 TSHR (0.56) MGLLHTR3EHTR3BHTR3AHTR3D
SCHEMBL29635721 0.80 TSHR (0.56) MGLLHTR3EHTR3BHTR3AHTR3D
Water SCHEMBL28262645 0.78 TSHR (0.54) MGLLHTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL28030628 0.78 TSHR (0.54) MGLLHTR3EHTR3BHTR3AHTR3D
SCHEMBL29438839 0.77 MGLL (0.71) MGLLENPP2KDM4EALDH1A1CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 WO disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed