SCHEMBL6466231

SCHEMBL6466231

CC(C)CCN(CS(=O)(=O)NCC(O)(CCc1ccccc1)c1nc2ccccc2o1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
CES1 P23141 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
PPARG P37231 6/20 0.34
PTPN1 P18031 3/20 0.32
PTPN2 P17706 2/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
XDH P47989 1/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7043318 0.91 PPARG (0.34) FAAHCES1DAGLAPPARGXDH
SCHEMBL6062665 0.78 MTNR1A (0.35) FAAHCES1DAGLAPTPN1PTPN2
SCHEMBL6462512 0.73 CTSS (0.40) FAAHCES1DAGLALMNAHTT
SCHEMBL6462741 0.72 FAAH (0.36) FAAHCES1DAGLAPTPN1PTPN2
SCHEMBL7049306 0.71 DAGLA (0.44) FAAHCES1DAGLALMNAHTT
SCHEMBL6466202 0.71 LMNA (0.36) FAAHCES1DAGLALMNAHTT
SCHEMBL6467037 0.70 FAAH (0.36) FAAHCES1DAGLALMNATP53
SCHEMBL7049542 0.69 MAPT (0.40) PTPN1PTPN2LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6465937 0.69 FAAH (0.35) FAAHCES1DAGLAPTPN1PTPN2
SCHEMBL7049043 0.67 MAPT (0.38) LMNAHTTSMN1; SMN2MAPT

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