SCHEMBL4598908

SCHEMBL4598908

O=C(CF)C(F)(F)C(=O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
PTPN1 P18031 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
CTNNB1 P35222 2/20 0.37
WNT3A P56704 2/20 0.37
BCHE P06276 1/20 0.37
GPR52 Q9Y2T5 1/20 0.36

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
SCHEMBL5446678 0.81 ERCC5 (0.41) ALDH1A1ERCC5FEN1GAAKMT2A
SCHEMBL710253 0.78 NR4A1 (0.49) ALDH1A1ALOX15PTPN1GAAMEN1
SCHEMBL3948165 0.77 CTSD (0.49) ALDH1A1GAAKMT2ANPC1HPGD
SCHEMBL361933 0.77 CES1 (0.60) CES2CES1ALDH1A1ALOX15PTPN1
SCHEMBL29668746 0.77 CES1 (0.60) CES2CES1ALDH1A1ALOX15PTPN1
SCHEMBL583437 0.76 CES1 (0.57) CES2CES1ALDH1A1ALOX15PTPN1
SCHEMBL9630805 0.74 CES1 (0.55) CES2CES1ALDH1A1ALOX15PTPN1
SCHEMBL9655468 0.74 CES1 (0.55) CES2CES1ALDH1A1ALOX15PTPN1
SCHEMBL9565947 0.74 CES1 (0.55) CES2CES1ALDH1A1ALOX15PTPN1
SCHEMBL28882937 0.73 KDM4E (0.49) CES2CES1ALDH1A1ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008067032-A2 TRANSGENIC MICE EXPRESSING A REAL-TIME REPORTER FOR CELLULAR CAMP IN A TISSUE-SELECTIVE AND INDUCIBLE MANNER UNIVERSITY OF MIAMI (US) 2008-06-05 WO disclosed
EP-1907850-A2 LATERAL FLOW ASSAY AND DEVICE USING MAGNETIC PARTICLES IDEXX LABORATORIES, INC. (US) 2008-04-09 EP disclosed
EP-1791972-A2 cAMP REPORTERS The Johns Hopkins University (US) 2007-06-06 EP disclosed
WO-2007050734-A1 PROTEIN KINASE A REPORTERS USEFUL IN HIGH THROUGHPUT ASSAYS THE JOHNS HOPKINS UNIVERSITY (US) 2007-05-03 WO disclosed
WO-2007011936-A2 LATERAL FLOW ASSAY AND DEVICE USING MAGNETIC PARTICLES IDEXX LABORATORIES, INC. (US) 2007-01-25 WO disclosed
WO-2006023972-A2 cAMP REPORTERS THE JOHNS HOPKINS UNIVERSITY (US) 2006-03-02 WO disclosed