SCHEMBL5581813

SCHEMBL5581813

CCCCCN(C(=O)[CH]C[Si](C)(C)C)C(=O)c1nc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.50
CES1 P23141 2/20 0.50
PPARG P37231 6/20 0.41
PPARA Q07869 6/20 0.41
PPARD Q03181 4/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSF1 Q00613 3/20 0.40
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
MIF P14174 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
DAGLA Q9Y4D2 1/20 0.38
XDH P47989 1/20 0.38

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
SCHEMBL6048149 0.97 FAAH (0.48) FAAHCES1PPARGPPARAPPARD
SCHEMBL5581487 0.92 FAAH (0.45) FAAHCES1ALDH1A1KMT2ATP53
SCHEMBL5581797 0.87 FAAH (0.46) FAAHCES1ALDH1A1MAPTKMT2A
SCHEMBL5520519 0.83 FAAH (0.43) FAAHCES1ALDH1A1KMT2ATP53
SCHEMBL14110504 0.80 FAAH (0.51) FAAHCES1ALDH1A1MAPTKMT2A
SCHEMBL6465050 0.76 FAAH (0.52) FAAHCES1PPARGPPARAPPARD
SCHEMBL14110445 0.75 FAAH (0.47) FAAHCES1ALDH1A1TP53HSF1
SCHEMBL7530436 0.74 FAAH (0.43) FAAHCES1PPARGPPARAPPARD
SCHEMBL14110574 0.72 FAAH (0.47) FAAHCES1ALDH1A1MAPTKMT2A
SCHEMBL7533229 0.70 FAAH (0.41) FAAHCES1PPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007519744-A 2007-07-19 JP claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed