SCHEMBL6152180

SCHEMBL6152180

CCCC(=O)C(F)(F)C(=O)C(F)(F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.39
CES1 P23141 8/20 0.38
CES2 O00748 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LIPA P38571 1/20 0.34
FFAR3 O14843 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL5323967 0.81 FAAH (0.44) FAAHCES1CES2MEN1CYP1A2
SCHEMBL5728393 0.76 FAAH (0.34) FAAHCES1CES2MEN1CYP1A2
SCHEMBL132627 0.75 FAAH (0.33) FAAHCES1CES2MEN1CYP1A2
SCHEMBL16207954 0.75 FFAR3 (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11542324 0.73 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL20680198 0.72 THRB (0.35)
SCHEMBL810081 0.71
SCHEMBL19320231 0.70 FAAH (0.39) FAAHCES1CES2MEN1CYP1A2
SCHEMBL14304568 0.69
SCHEMBL9190607 0.68 CES1 (0.43) FAAHCES1CES2MEN1CYP1A2

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
US-6953041-B2 Compositions of transition metal species in dense phase carbon dioxide and methods of use thereof MICELL TECHNOLOGIES, INC. (US) 2005-10-11 US disclosed
EP-1549784-A2 COMPOSITIONS OF TRANSITION METAL SPECIES IN DENSE PHASE CARBON DIOXIDE AND METHODS OF USE THEREOF Micell Technologies, Inc. (US) 2005-07-06 EP disclosed
WO-2004033758-A2 COMPOSITIONS OF TRANSITION METAL SPECIES IN DENSE PHASE CARBON DIOXIDE AND METHODS OF USE THEREOF MICELL TECHNOLOGIES, INC. (US) 2004-04-22 WO disclosed
US-20040071873-A1 Compositions of transition metal species in dense phase carbon dioxide and methods of use thereof MICELL TECHNOLOGIES, INC. 2004-04-15 US disclosed