SCHEMBL8830005

SCHEMBL8830005

CN(C)c1ccccc1OB(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP2 Q13822 1/20 0.38
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TSPO P30536 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CHEK1 O14757 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
EP300 Q09472 1/20 0.34
KAT2B Q92831 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34

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
SCHEMBL31043442 0.86 ENPP2 (0.34) ENPP2ORAI1ORAI2ORAI3TSPO
SCHEMBL29398133 0.85 ENPP2 (0.33) MAPTGAAALDH1A1TP53TSHR
SCHEMBL8830001 0.83 MAPT (0.39) MAPTGAAALDH1A1TP53TSHR
SCHEMBL6340984 0.79 TDP1 (0.38) MAPTGAAALDH1A1TSHRENPP2
SCHEMBL29023721 0.77 GAA (0.48) MAPTGAAALDH1A1TP53TSHR
SCHEMBL6678412 0.77 ENPP2 (0.44) MAPTGAAALDH1A1TP53TSHR
SCHEMBL29706601 0.77 ENPP2 (0.44) MAPTGAAALDH1A1TP53TSHR
SCHEMBL19834040 0.76 ORAI1 (0.41) MAPTGAAALDH1A1TP53TSHR
SCHEMBL2458146 0.75 TSPO (0.46) MAPTGAAALDH1A1TP53TSHR
SCHEMBL2539698 0.73 CA1 (0.57) MAPTGAAALDH1A1TP53TSHR

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
CN-101983384-A Prolyl hydroxylase inhibitors SMITHKLINE BEECHAM CORP 2011-03-02 CN disclosed
US-5607803-A Decolorizable toner and a decolorizable toner production process SHOWA DENKO K.K. (JP) 1997-03-04 US disclosed