SCHEMBL9488795

SCHEMBL9488795

Fc1cccc(OC(F)(F)C(F)(F)C(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.40
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
NFE2L2 Q16236 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.33
HTR1A P08908 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
USP2 O75604 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
SCHEMBL13144294 0.83 CETP (0.52) CETPKMT2ALMNAMEN1PIM1
SCHEMBL10921751 0.81 ACHE (0.46) CETPKMT2ALMNANPSR1HPGD
SCHEMBL706600 0.79 TSHR (0.35) KMT2ALMNANPSR1MEN1HPGD
SCHEMBL254534 0.77 GPR3 (0.50) CETPNFE2L2
SCHEMBL29435934 0.77 GPR3 (0.50) CETPNFE2L2
SCHEMBL11679551 0.76 TSHR (0.36) USP2
SCHEMBL9501529 0.75 LMNA (0.52) CETPPPARGPPARASLC6A4SLC6A2
SCHEMBL246293 0.75 MAOB (0.40) CETPPPARGPPARASLC6A4SLC6A2
SCHEMBL16144539 0.73 MAOB (0.42) CETPPPARGPPARASLC6A4SLC6A2
SCHEMBL14241697 0.73 CETP (0.44) CETPPPARGPPARASLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318781-B1 ALKOXYANILINES CONTAINING FLUORINE ATOMS ON THE AROMATIC RING AND ON THE SIDE CHAINS AND PROCESS FOR THE PREPARATION OF ALKOXYANILINES CONTAINING FLUORINE ATOMS ON THE AROMATIC RING AND ON THE SIDE CHAIN BAYER AG (DE) 1993-06-23 EP disclosed
EP-0318782-B1 SUBSTITUTED BENZOYL(THIO) UREAS BAYER AG (DE) 1993-01-20 EP disclosed
EP-0318782-A2 Substituted benzoyl(thio) ureas BAYER AG (DE) 1989-06-07 EP disclosed
EP-0318781-A2 Alkoxyanilines containing fluorine atoms on the aromatic ring and on the side chains and process for the preparation of alkoxyanilines containing fluorine atoms on the aromatic ring and on the side chain BAYER AG (DE) 1989-06-07 EP disclosed