SCHEMBL4778558

SCHEMBL4778558

CCCC(F)OC(=O)NCCBr

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.40
ACHE P22303 8/20 0.35
EPHX1 P07099 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALOX15 P16050 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
CTSK P43235 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5154142 0.79 ACHE (0.37) ACHEEPHX1CHRNB2CHRNB4CHRNA3
SCHEMBL2309682 0.79 EGLN1 (0.41) FAAHACHEEPHX1CHRNB2CHRNB4
SCHEMBL21708618 0.76 LMNA (0.37) FAAHCNR1CNR2
SCHEMBL6615472 0.75 ALOX15 (0.41) FAAHACHEEPHX1CHRNB2CHRNB4
SCHEMBL17748720 0.74 HDAC7 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CTSK
SCHEMBL11969584 0.74 EPHX1 (0.59) ACHEEPHX1
SCHEMBL11969386 0.74 EPHX1 (0.55) ACHEEPHX1
SCHEMBL1276782 0.73 DPP7 (0.45) EPHX1
SCHEMBL1933764 0.73 ALDH1A1 (0.41) FAAHCNR1CNR2HDAC7HDAC8
SCHEMBL9989327 0.73 HDAC7 (0.35) CTSKHDAC7HDAC8HDAC6HDAC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004078116-A9 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-09-12 WO disclosed