SCHEMBL13383446

SCHEMBL13383446

C=C(C)C(=O)OC12CC3C[C@H](CC(O)(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
HSD11B1 P28845 4/20 0.36
ALDH1A1 P00352 2/20 0.33
DPP4 P27487 3/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MDH1 P40925 1/20 0.31
MDH2 P40926 1/20 0.31

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
SCHEMBL15281467 1.00 PKM (0.37) PKMHSD11B1ALDH1A1DPP4DPP8
SCHEMBL41045 1.00 PKM (0.37) PKMHSD11B1ALDH1A1DPP4DPP8
Methacrylic Acid SCHEMBL5355469 0.95 PKM (0.34) PKMHSD11B1ALDH1A1DPP4DPP8
SCHEMBL13649563 0.94 PKM (0.33) PKMHSD11B1ALDH1A1DPP4DPP8
Acrylic Acid SCHEMBL28227378 0.92 PKM (0.32) PKMHSD11B1DPP8DPP9
SCHEMBL737596 0.90 ALDH1A1 (0.35) ALDH1A1DPP4NPSR1
SCHEMBL21235121 0.90 DPP4 (0.30) DPP4
SCHEMBL29082660 0.89 HSD11B1 (0.33) PKMHSD11B1DPP4
SCHEMBL5856204 0.89 CYP17A1 (0.32) PKMHSD11B1
SCHEMBL19050241 0.87

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
EP-2426154-B1 Photosensitive composition, pattern forming method using the photosensitive composition and compound for use in the photosensitive composition FUJIFILM CORP (JP) 2013-01-09 EP disclosed
EP-2177506-A1 POSITIVE RESIST COMPOSITION, PATTERN FORMING METHOD USING THE COMPOSITION, AND COMPOUND USED IN THE COMPOSITION Fujifilm Corporation (JP) 2010-04-21 EP disclosed
EP-1641848-B1 PHOTORESIST POLYMER COMPOSITIONS JSR CORP (JP) 2007-08-22 EP disclosed