SCHEMBL5669591

SCHEMBL5669591

COC(=O)N(F)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
RAB9A P51151 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC1 Q13547 1/20 0.43
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
XBP1 P17861 1/20 0.41
TRPV1 Q8NER1 2/20 0.39
PDK1 Q15118 1/20 0.39

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
SCHEMBL760449 0.80 NPSR1 (0.59) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL27719797 0.79 RAB9A (0.55) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL28111104 0.77 L3MBTL1 (0.47) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL2559709 0.75 ALDH1A1 (0.50) ALDH1A1TDP1TSHRHPGD
SCHEMBL5476076 0.74 ALDH1A1 (0.31) MAPTNPSR1ALDH1A1HSD17B10ALOX15
SCHEMBL19888140 0.74 CA1 (0.57) MAPTKMT2ANPSR1HDAC1MAPK1
SCHEMBL3004700 0.72 GAA (0.49) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL19888143 0.70 LMNA (0.63) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL2717803 0.69 ALDH1A1 (0.46) MAPTRAB9AMEN1KMT2ANPSR1
SCHEMBL14163841 0.69 TSHR (0.52) MAPTRAB9AHDAC1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1729755-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed