SCHEMBL14023116

SCHEMBL14023116

COc1ccc(C(C=O)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
CTSK P43235 6/20 0.46
ABCB1 P08183 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CTSS P25774 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CACNA1B Q00975 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACACB O00763 1/20 0.39
CNR2 P34972 1/20 0.39
MAPT P10636 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
SCHEMBL13920479 0.85 MIF (0.48) CTSKPPARGPPARACTSSMAPT
SCHEMBL31269578 0.84 ALDH1A1 (0.44) CTSKALDH1A1TSHRMAPK1TDP1
SCHEMBL13919630 0.84 ITGB3 (0.43) CTSKCTSSALDH1A1KDM4EMAPK1
SCHEMBL15952332 0.84 TRPA1 (0.45) CTSKPPARGPPARACTSSALDH1A1
SCHEMBL14847516 0.84 TRPA1 (0.45) CTSKPPARGPPARACTSSALDH1A1
SCHEMBL10154459 0.84 NPC1 (0.49) CTSKCTSSALDH1A1CACNA1BMEN1
SCHEMBL19348989 0.84 CTSK (0.52) CTSKPPARGPPARACTSSMAPT
SCHEMBL10896010 0.84 CTSK (0.52) CTSKPPARGPPARACTSSMAPT
SCHEMBL4715202 0.84 CTSK (0.52) CTSKPPARGPPARACTSSMAPT
SCHEMBL30109141 0.83 MAPT (0.50) CTSKPPARGPPARACTSSMAPT

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
WO-2008138561-A1 TUBULYSINE DERIVATIVES R & D BIOPHARMACEUTICALS GMBH (DE) 2008-11-20 WO disclosed