SCHEMBL6856898

SCHEMBL6856898

CCOC(=O)CCCN1CCc2cc(CO)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
SMAD3 P84022 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NOTUM Q6P988 1/20 0.43
TNF P01375 3/20 0.41
S1PR1 P21453 2/20 0.41
ACHE P22303 3/20 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
SCHEMBL19510855 0.85 NOTUM (0.44) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL5940278 0.81 NOTUM (0.43) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL25394336 0.79 NOTUM (0.47) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL5940049 0.78 HDAC1 (0.46) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL5940440 0.78 NOTUM (0.62) CYP4F2CYP4A11MAPTKDM4EMEN1
SCHEMBL25391342 0.78 NOTUM (0.46) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL19510581 0.78 NOTUM (0.38) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL10130690 0.75 MAPT (0.47) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL5940318 0.75 HDAC1 (0.45) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL5940212 0.75 NOTUM (0.57) MEN1KMT2AALDH1A1GAANOTUM

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-6828159-B1 Carbopyronine fluorescent dyes Drexhage, Karl-Heinz (DE) 2004-12-07 US disclosed