SCHEMBL14446201

SCHEMBL14446201

C=C(C(=O)O[C@@]12CC3C[C@H](CC(O)(C3)C1)C2)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
HSD11B1 P28845 2/20 0.33
MDH1 P40925 1/20 0.32
MDH2 P40926 1/20 0.32
TGM2 P21980 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL3686165 1.00 PKM (0.34) PKMHSD11B1MDH1MDH2TGM2
SCHEMBL13994978 0.91 TGM2 (0.34) TGM2
SCHEMBL5617082 0.87
SCHEMBL954294 0.84 TGM2 (0.38) TGM2
SCHEMBL6105134 0.84 POLB (0.38) PKMTGM2DPP8DPP9
SCHEMBL5144548 0.84 TSHR (0.36) TGM2
SCHEMBL4862676 0.84 TGM2 (0.31) TGM2
SCHEMBL13866174 0.84 DPP4 (0.33) TGM2DPP4
SCHEMBL14523960 0.83 PKM (0.37) PKMHSD11B1ALDH1A1DPP4DPP8
SCHEMBL6107251 0.83 PKM (0.38) PKMTGM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641848-B1 PHOTORESIST POLYMER COMPOSITIONS JSR CORP (JP) 2007-08-22 EP disclosed