SCHEMBL11234847

SCHEMBL11234847

CCOC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
ALDH1A1 P00352 5/20 0.46
TSHR P16473 5/20 0.46
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC2A1 P11166 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL5388824 0.83 GAA (0.49) GAAALDH1A1TSHRMAPK1CYP3A4
SCHEMBL10349250 0.78 ALDH1A1 (0.55) GAAALDH1A1TSHRMAPK1CYP3A4
SCHEMBL11189024 0.77 GAA (0.44) GAAALDH1A1MAPK1TDP1HSD17B10
SCHEMBL1446635 0.76 MAPK1 (0.51) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL14690789 0.76 SLC6A2 (0.42) GAAALDH1A1TSHRMAPK1CYP3A4
SCHEMBL8313479 0.76 GAA (0.43) GAAALDH1A1TSHRMAPK1CYP3A4
SCHEMBL11192255 0.76 ALDH1A1 (0.54) GAAALDH1A1SLC2A1L3MBTL1NPC1
SCHEMBL8777534 0.76 SLC2A1 (0.55) GAAALDH1A1TSHRMAPK1CYP3A4
SCHEMBL12319059 0.76 KDM4E (0.41) TDP1MEN1KMT2ASLC6A2SLC6A4
SCHEMBL14690792 0.75 ALDH1A1 (0.42) GAAALDH1A1TSHRMAPK1CYP3A4

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
US-4349454-A ENCAPSULATION OF A HYDROPHOBIC-SOLVENT SOLUTION OF A DIAMINODIARYL METHANE SULFONE DERIVATIVE KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1982-09-14 US disclosed
US-4284696-A Light transmission particle for forming color image HODOGAYA CHEMICAL CO., LTD. (JP) 1981-08-18 US disclosed