Sugi Predict

Sugi Predict / Compounds / SCHEMBL6464404

SCHEMBL6464404

SCHEMBL6464404

O=C(O)N(CCS(=O)(=O)Cc1ccccc1)C(=O)N(CCCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 10/20 0.48
▸ FAAH O00519 3/20 0.48
▸ CES1 P23141 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ XDH P47989 4/20 0.40
▸ PPARG P37231 2/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ RCE1 Q9Y256 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
SCHEMBL6465186 0.91 ALDH1A1 (0.44) DAGLAFAAHCES1ALDH1A1XDH
SCHEMBL6464421 0.91 ALDH1A1 (0.44) DAGLAFAAHCES1ALDH1A1XDH
SCHEMBL6463072 0.85 DAGLA (0.60) DAGLAFAAHCES1XDH
SCHEMBL6475520 0.82 DAGLA (0.50) DAGLAFAAHCES1XDHPPARG
SCHEMBL6467552 0.81 DAGLA (0.51) DAGLAFAAHCES1XDHPPARG
SCHEMBL6462825 0.79 XDH (0.38) FAAHCES1ALDH1A1XDHPPARG
SCHEMBL6464410 0.77 FAAH (0.42) DAGLAFAAHCES1ALDH1A1
SCHEMBL7049749 0.77 DAGLA (0.50) DAGLAFAAHCES1XDHPPARG
SCHEMBL6465108 0.77 XDH (0.39) FAAHCES1ALDH1A1XDH
SCHEMBL7049518 0.76 DAGLA (0.46) DAGLAFAAHCES1ALDH1A1XDH

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