SCHEMBL4725824

SCHEMBL4725824

CC(C)(C)OC(=O)C(=Cc1ccccc1)OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.41
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
AKR1C1 Q04828 1/20 0.36
RECQL P46063 1/20 0.36
CYP2C19 P33261 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
HTT P42858 1/20 0.35
EGFR P00533 1/20 0.35
FBP1 P09467 1/20 0.34

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
SCHEMBL4725821 1.00 MEN1 (0.42) MEN1KMT2AAKR1C3NFKB1NFKB2
SCHEMBL28723296 0.85 MEN1 (0.44) MEN1KMT2AAKR1C3ABCG2RECQL
SCHEMBL2409609 0.85 ABCG2 (0.47) MEN1KMT2AAKR1C3NFKB1NFKB2
SCHEMBL28251565 0.83 AKR1C3 (0.43) MEN1KMT2AAKR1C3NFKB1NFKB2
SCHEMBL28178758 0.82 MEN1 (0.44) MEN1KMT2AAKR1C3NFKB1NFKB2
SCHEMBL4649011 0.81 AKR1C3 (0.47) MEN1KMT2AAKR1C3ALDH1A1TSHR
SCHEMBL13241270 0.81 MEN1 (0.58) MEN1KMT2AAKR1C3NFKB1NFKB2
SCHEMBL4649014 0.81 AKR1C3 (0.47) MEN1KMT2AAKR1C3ALDH1A1TSHR
SCHEMBL7153123 0.81 AKR1C3 (0.47) MEN1KMT2AAKR1C3ALDH1A1TSHR
SCHEMBL7615069 0.80 AKR1C3 (0.50) MEN1KMT2AAKR1C3NFKB1NFKB2

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-1937640-A2 1,2,3,5-TETRAHYDRO-CYCLOPENTAL[C]QUINOLIN-4-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
WO-2007041076-A2 1,2,3,5-TETRAHYDRO-CYCLOPENTAL[C]QUINOLIN-4-ONE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-12 WO disclosed