SCHEMBL6693673

SCHEMBL6693673

CCOC(=O)C1C(=O)c2c(F)ccc(F)c2N(CC)C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL6692389 0.85 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL6689539 0.78 IDO1 (0.36) ALDH1A1KMT2AMEN1TSHR
SCHEMBL5059322 0.70 TDP2 (0.40) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL10733504 0.68 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL31704076 0.68 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2743830 0.68 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL4386782 0.68 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL10746773 0.67 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL31005842 0.67 CMA1 (0.38) ALDH1A1KDM4EKMT2AMEN1TDP1
SCHEMBL23609872 0.63 GABRG2 (0.41) ALDH1A1KDM4EKMT2AMEN1TDP1

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-2004101584-A1 MACROLIDES SUBSTITUTED AT THE 3-POSITION HAVING ANTIMICROBIAL ACTIVITY GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed