SCHEMBL6462832

SCHEMBL6462832

COc1ccccc1CS(=O)(=O)C(CNC(=O)O)C(=O)NCCCCC(=O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 5/20 0.43
FAAH O00519 3/20 0.43
CES1 P23141 2/20 0.43
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
P2RY14 Q15391 1/20 0.38
BCHE P06276 1/20 0.37
CHRM2 P08172 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7043208 0.94 FAAH (0.41) DAGLAFAAHCES1HDAC3HDAC4
SCHEMBL6466177 0.90 DAGLA (0.44) DAGLAFAAHCES1HDAC3HDAC4
SCHEMBL6461887 0.87 DRD2 (0.41) DAGLAFAAHCES1HDAC3HDAC4
SCHEMBL6468442 0.87 DAGLA (0.55) DAGLAFAAHCES1XDH
SCHEMBL6462869 0.84 DAGLA (0.52) DAGLAFAAHCES1HDAC3HDAC4
SCHEMBL7045344 0.82 FAAH (0.41) DAGLAFAAHCES1HDAC3HDAC4
SCHEMBL6463510 0.82 FAAH (0.41) DAGLAFAAHCES1HDAC3HDAC4
SCHEMBL6465216 0.80 FAAH (0.39) DAGLAFAAHCES1HDAC3HDAC4
SCHEMBL6465127 0.80 DAGLA (0.42) DAGLAFAAHCES1HDAC3HDAC1
SCHEMBL6467763 0.79 FAAH (0.36) DAGLAFAAHCES1HDAC3HDAC4

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed