SCHEMBL5506848

SCHEMBL5506848

Cc1ccc(CC(C)NCC(F)(F)CS(=O)(=O)O)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.41
NR3C2 P08235 5/20 0.41
PGR P06401 3/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
PSMB5 P28074 6/20 0.36
PSMB8 P28062 1/20 0.35
MC4R P32245 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
SCHEMBL5503665 0.78 NR3C1 (0.41) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL6009060 0.71 KEAP1 (0.37) ALDH1A1
SCHEMBL12722551 0.68 KDM4E (0.50) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL3640959 0.68 ACACB (0.52) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL18292224 0.66 NR3C1 (0.42) NR3C1NR3C2PGRKDM4EALDH1A1
SCHEMBL10895597 0.66 ADRB3 (0.49)
SCHEMBL24912886 0.65 ADRB3 (0.48) NR3C1NR3C2PGRCYP1A2CYP2D6
SCHEMBL27220689 0.65 ADRB3 (0.56) NR3C1NR3C2PGR
SCHEMBL27220693 0.65 ADRB3 (0.56) NR3C1NR3C2PGR
SCHEMBL27220675 0.65 ADRB3 (0.48) NR3C1NR3C2PGRCYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
WO-2006059252-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-08 WO disclosed