SCHEMBL4650332

SCHEMBL4650332

CC(C)CCOC(=O)c1ccccc1N(C)C.CCN(CC)c1ccccc1C(=O)OCCC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TSHR P16473 7/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 1/20 0.40
SLC22A1 O15245 1/20 0.40
HTT P42858 1/20 0.40
SCN1A P35498 2/20 0.40
SCN2A Q99250 2/20 0.40
SCN3A Q9NY46 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL815233 0.95 ALDH1A1 (0.49) ALDH1A1TSHRTP53TDP1L3MBTL1
SCHEMBL407047 0.92 TSHR (0.50) ALDH1A1TSHRTP53GAAMAPT
SCHEMBL28367327 0.82 TSHR (0.52) ALDH1A1TSHRTP53GAAMAPT
SCHEMBL27907804 0.81 ALDH1A1 (0.69) ALDH1A1TSHRTP53TDP1L3MBTL1
SCHEMBL28411424 0.79 ALDH1A1 (0.71) ALDH1A1TSHRTP53GAAMAPT
SCHEMBL204946 0.79 TSHR (0.67) ALDH1A1TSHRTP53GAATDP1
SCHEMBL29754649 0.79 TSHR (0.67) ALDH1A1TSHRTP53GAATDP1
SCHEMBL8835408 0.78 ALDH1A1 (0.72) ALDH1A1TSHRTP53GAAMAPT
SCHEMBL3454897 0.77 TSHR (0.67) ALDH1A1TSHRTP53MAPTTDP1
SCHEMBL29155869 0.77 SCN1A (0.64) ALDH1A1TSHRSMN1; SMN2CYP3A4LMNA

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-0855731-B1 PLASMA DISPLAY AND METHOD OF MANUFACTURING THE SAME TORAY INDUSTRIES (JP) 2008-09-03 EP disclosed
EP-0855731-A1 PLASMA DISPLAY AND METHOD OF MANUFACTURING THE SAME TORAY INDUSTRIES, INC. (JP) 1998-07-29 EP disclosed