SCHEMBL21799304

SCHEMBL21799304

CC=CC(=O)O[CH]CCOC(=O)C=CC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 5/20 0.39
GSTP1 P09211 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 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
SCHEMBL5252623 0.82 ATM (0.42) ATMHCAR2ALDH1A1TSHRCYP3A4
SCHEMBL20875236 0.81 ATM (0.60) ATMHCAR2GSTP1ALDH1A1TSHR
SCHEMBL8669692 0.81 ATM (0.60) ATMHCAR2GSTP1ALDH1A1TSHR
SCHEMBL8673805 0.80 ATM (0.52) ATMHCAR2GSTP1ALDH1A1TSHR
SCHEMBL21636771 0.80 ATM (0.52) ATMHCAR2GSTP1ALDH1A1TSHR
SCHEMBL11335903 0.79 ATM (0.34) ATMHCAR2GSTP1
SCHEMBL31261975 0.79 MAPT (0.44) ATMHCAR2GSTP1ALDH1A1TSHR
SCHEMBL25174772 0.79 ATM (0.64) ATMHCAR2GSTP1ALDH1A1TSHR
SCHEMBL20875241 0.79 ATM (0.58) ATMHCAR2GSTP1ALDH1A1TSHR
SCHEMBL28872434 0.79 ATM (0.58) ATMHCAR2GSTP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2110392-B1 DIVIDED REDOX-CURING-TYPE COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2020-05-06 EP claimed
EP-2492289-B1 POLYMERIZABLE COMPOSITION AND DENTAL MATERIAL KURARAY NORITAKE DENTAL INC (JP) 2020-03-18 EP claimed