SCHEMBL8375848

SCHEMBL8375848

CN(C)c1cccc(OC(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.65
ACHE P22303 3/20 0.65
FAAH O00519 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.46
CYP3A4 P08684 1/20 0.46
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
GFER P55789 1/20 0.45
APP P05067 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL11265429 0.89 ACHE (0.60) BCHEACHEFAAHALDH1A1TSHR
SCHEMBL29722653 0.84 ACHE (0.61) BCHEACHETSHRLMNAKMT2A
SCHEMBL2331290 0.84 ACHE (0.61) BCHEACHETSHRLMNAKMT2A
SCHEMBL28920273 0.84 MEN1 (0.66) BCHEACHEFAAHALDH1A1TSHR
SCHEMBL2529775 0.84 BCHE (0.59) BCHEACHEFAAHALDH1A1TSHR
SCHEMBL27858953 0.83 BCHE (0.62) BCHEACHEALDH1A1KMT2ATDP1
SCHEMBL1055225 0.81 BCHE (0.56) BCHEACHEFAAHALDH1A1TSHR
SCHEMBL11803291 0.81 ACHE (0.68) BCHEACHEFAAHALDH1A1LMNA
SCHEMBL1423356 0.80 ACHE (0.55) BCHEACHEFAAHALDH1A1TSHR
SCHEMBL9407428 0.80 BCHE (0.55) BCHEACHEFAAHALDH1A1TSHR

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-0645435-B1 Trisazo dye, process for producing the same and aqueous ink composition containing the same ORIENT CHEMICAL IND (JP) 1999-03-24 EP claimed