SCHEMBL8312797

SCHEMBL8312797

CC1CC(=O)N(c2ccc(F)cc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 3/20 0.56
HSP90AA1 P07900 2/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 4/20 0.48
KDM4E B2RXH2 2/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL16566170 0.91 ALDH1A1 (0.50) ALDH1A1MAPTHSP90AA1HTTGAA
SCHEMBL14821834 0.84 ALDH1A1 (0.61) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL16450893 0.82 HSP90AA1 (0.59) ALDH1A1MAPTHSP90AA1MEN1KMT2A
SCHEMBL12235539 0.82 HSP90AA1 (0.59) ALDH1A1MAPTHSP90AA1MEN1KMT2A
SCHEMBL13478303 0.82 L3MBTL1 (0.47) ALDH1A1MAPTHSP90AA1HTTGAA
SCHEMBL13057567 0.82 ALDH1A1 (0.51) ALDH1A1MAPTHSP90AA1KMT2AGAA
SCHEMBL3485977 0.81 ALDH1A1 (0.58) ALDH1A1MAPTGAAKDM4EPOLB
SCHEMBL774049 0.81 ALDH1A1 (0.58) ALDH1A1MAPTGAAKDM4EPOLB
SCHEMBL8884265 0.81 L3MBTL1 (0.64) ALDH1A1MAPTHSP90AA1HTTMEN1
SCHEMBL18466208 0.81 ALDH1A1 (0.50) ALDH1A1MAPTHSP90AA1HTTMEN1

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
WO-2004063213-A2 PEPTIDES WHICH TARGET TUMOR AND ENDOTHELIAL CELLS, COMPOSITIONS AND USES THEREOF ATTENUON, LLC (US) 2004-07-29 WO disclosed