SCHEMBL30033403

SCHEMBL30033403

CCOC(=O)C1CC(CC(F)(F)F)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.38
TLR4 O00206 1/20 0.36
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALOX12 P18054 1/20 0.32
MLYCD O95822 1/20 0.32

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
SCHEMBL30034563 0.83 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL6901730 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL18870328 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL31756582 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL10576442 0.78 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL3196831 0.75 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL23857484 0.74 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL11676672 0.74 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL15416046 0.73 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1GAA
SCHEMBL5739433 0.72 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1GAA

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-2022224223-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2022-10-27 WO disclosed