SCHEMBL8928197

SCHEMBL8928197

CCN(CC)c1ccc(N)c(OC(C)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.51
ALDH1A1 P00352 8/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
CYP3A4 P08684 3/20 0.42
MAPK1 P28482 3/20 0.42
GFER P55789 2/20 0.42
PSMD14 O00487 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BACE1 P56817 2/20 0.41
TERT O14746 1/20 0.38
MAPT P10636 7/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
POLB P06746 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 4/20 0.34
SMN1; SMN2 Q16637 3/20 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
SCHEMBL8014237 0.78 S100B (0.59) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL10953026 0.77 ALDH1A1 (0.59) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL8745520 0.76 S100B (0.56) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL8928198 0.75 S100B (0.51) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL214546 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP3A4MAPK1TSHR
SCHEMBL8943305 0.74 S100B (0.50) S100BALDH1A1L3MBTL1CYP3A4MAPK1
SCHEMBL8067053 0.74 TLR8 (0.38) S100BALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL11265889 0.73 CYP1A2 (0.53) S100BALDH1A1L3MBTL1CYP3A4MAPK1
Hydrochloric Acid SCHEMBL5792316 0.73 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP3A4MAPK1TSHR
SCHEMBL9795689 0.73 MAOB (0.39) ALDH1A1L3MBTL1CYP3A4MAPK1TSHR

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
US-5614356-A DEVELOPMENT OF SILVER HALIDE EMULSIONS FOR COLOR PHOTOGRAPHY WITH BENZENEDIAMINE ETHERS FUJI PHOTO FILM CO., LTD. (JP) 1997-03-25 US disclosed