SCHEMBL29035772

SCHEMBL29035772

[CH2]c1ccc(N(CC)CC)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GFER P55789 3/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
TERT O14746 1/20 0.43
MAPT P10636 7/20 0.42
MAPK1 P28482 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
S100B P04271 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CYBB P04839 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
HTT P42858 2/20 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
SCHEMBL14065110 0.79 ALDH1A1 (0.60) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL10473340 0.79 ALDH1A1 (0.55) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL21209062 0.78 ALDH1A1 (0.58) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL10486146 0.78 FGFR1 (0.59) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL8014237 0.78 S100B (0.59) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL11289010 0.77 ALDH1A1 (0.71) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL25656898 0.76 ALDH1A1 (0.57) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL29914670 0.75 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL12303026 0.75 ALDH1A1 (0.55) ALDH1A1L3MBTL1MEN1KMT2AGFER
SCHEMBL13871356 0.75 ALDH1A1 (0.55) ALDH1A1L3MBTL1MEN1KMT2AGFER

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
CN-116041244-A Curcumin AIE near infrared fluorescent probe targeting Abeta aggregate and synthesis method and application thereof 辽宁大学 2023-05-02 CN disclosed