SCHEMBL14855484

SCHEMBL14855484

CC(=O)O[C@@H](C(=O)O)c1ccccc1.CC[C@H](c1cccc(N(C(C)C)C(C)C)c1)c1cc(CO)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
PPARA Q07869 4/20 0.37
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM3 P20309 3/20 0.35
CHRM5 P08912 2/20 0.35
HRH1 P35367 2/20 0.35
ADRB2 P07550 2/20 0.35
CX3CR1 P49238 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PPARG P37231 3/20 0.33
LMNA P02545 5/20 0.32
NPSR1 Q6W5P4 4/20 0.32
MAPT P10636 3/20 0.32
HTT P42858 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7752284 0.86 CHRM3 (0.38) CHRM2CHRM1CYP3A4ALDH1A1CHRM3
SCHEMBL2167352 0.86 CHRM3 (0.38) CHRM2CHRM1CYP3A4ALDH1A1CHRM3
SCHEMBL722593 0.86 CHRM3 (0.38) CHRM2CHRM1CYP3A4ALDH1A1CHRM3
SCHEMBL11295974 0.81 ALDH1A1 (0.38) CHRM2CHRM1CYP3A4ALDH1A1CHRM3
SCHEMBL4659036 0.78 CHRM2 (0.51) CHRM2CHRM1CYP3A4ALDH1A1MAPT
SCHEMBL4660409 0.78 CHRM2 (0.51) CHRM2CHRM1CYP3A4ALDH1A1MAPT
SCHEMBL4189998 0.78 MAPT (0.38) CHRM2CHRM1ALDH1A1CHRM3CHRM5
SCHEMBL11297464 0.77 CHRM2 (0.48) CHRM2CHRM1
SCHEMBL7758289 0.77 MAPT (0.41) ALDH1A1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL4660292 0.77 CHRM2 (0.48) CHRM2CHRM1ALDH1A1LMNAMAPT

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-2580203-A1 PROCESS FOR THE PREPARATION OF 2 -HYDROXY- 4 -PHENYL -3, 4 -DIHYDRO-2H-CHROMEN- 6 -YL -METHANOL AND (R) - FESO - DEACYL Chemi SPA (IT) 2013-04-17 EP disclosed
WO-2011154854-A1 PROCESS FOR THE PREPARATION OF 2 -HYDROXY- 4 -PHENYL -3, 4 -DIHYDRO-2H-CHROMEN- 6 -YL -METHANOL AND (R) - FESO - DEACYL CHEMI SPA (IT) 2011-12-15 WO disclosed