SCHEMBL4644870

SCHEMBL4644870

CC=CC(=O)OCCCOCC1(CC)COC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 4/20 0.36
TSHR P16473 2/20 0.34
PRKCA P17252 4/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CTSK P43235 2/20 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
SCHEMBL12168484 0.85 TSHR (0.49) ATMTSHRPRKCAHPGDMEN1
SCHEMBL7538126 0.84 TSHR (0.41) ATMHCAR2TSHRMEN1KMT2A
SCHEMBL27888794 0.81 ATM (0.37) ATMHCAR2TSHRPRKCA
SCHEMBL12168487 0.81 TSHR (0.51) ATMHCAR2TSHRPRKCAHPGD
SCHEMBL9935180 0.79 TSHR (0.33) TSHR
SCHEMBL13882270 0.77 ALDH1A1 (0.42) TSHRPRKCAMEN1KMT2ACTSK
SCHEMBL13294313 0.77 TSHR (0.32) TSHR
SCHEMBL4644865 0.77 TSHR (0.46) TSHRMEN1KMT2ACTSK
SCHEMBL7879723 0.76 TSHR (0.51) TSHRHPGDMEN1KMT2A
SCHEMBL7087074 0.76 TSHR (0.44) ATMHCAR2TSHRMAPTMEN1

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-1591098-B1 Cationically curable composition for dental use TOKUYAMA CORP (JP) 2008-08-13 EP disclosed
US-7365106-B2 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2008-04-29 US disclosed
US-20050250868-A1 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2005-11-10 US disclosed
EP-1591098-A1 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2005-11-02 EP disclosed