SCHEMBL583454

SCHEMBL583454

O=C(CF)C(F)(F)C(=O)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
GSK3B P49841 3/20 0.42
OGG1 O15527 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.35
PTPN7 P35236 1/20 0.35

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
SCHEMBL711848 0.83 PLOD2 (0.50) CES1CES2CA1CA2MLYCD
SCHEMBL9770781 0.81 CA2 (0.55) CES1CES2GSK3BCA2HDAC1
SCHEMBL584064 0.81 CES2 (0.43) CES1CES2GSK3BCA1CA2
SCHEMBL583437 0.81 CES1 (0.57) CES1CES2GSK3BLMNAMAPT
SCHEMBL29137293 0.80 CES1 (0.54) CES1CES2GSK3BOGG1CA1
SCHEMBL9565947 0.79 CES1 (0.55) CES1CES2GSK3BLMNAMAPT
SCHEMBL9630805 0.79 CES1 (0.55) CES1CES2GSK3BLMNAMAPT
SCHEMBL9655468 0.79 CES1 (0.55) CES1CES2GSK3BLMNAMAPT
SCHEMBL9770760 0.79 CES1 (0.46) CES1GSK3BHDAC3HDAC4HDAC1
SCHEMBL9770874 0.79 ALDH1A1 (0.48) HDAC4HDAC6LMNATDP1MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417216-A2 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION Inbio Prof. Jürgen Büddefeld Dr. Peter Klauth Prof. Manfred Rietz Gbr (DE) 2012-02-15 EP claimed
WO-2010115503-A2 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION INBIO PROF. JÜRGEN BÜDDEFELD DR. PETER KLAUTH PROF. MANFRED RIETZ GBR (DE) 2010-10-14 WO claimed
US-20120107624-A1 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION INBIO PROF. JURGEN BUDDEFELD DR. PETER KLAUTH PROF. MANFRED RIETZ (DE) 2012-05-03 US disclosed
EP-2417216-A2 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION Inbio Prof. Jürgen Büddefeld Dr. Peter Klauth Prof. Manfred Rietz Gbr (DE) 2012-02-15 EP disclosed
WO-2010115503-A2 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION INBIO PROF. JÜRGEN BÜDDEFELD DR. PETER KLAUTH PROF. MANFRED RIETZ GBR (DE) 2010-10-14 WO disclosed
EP-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO disclosed