SCHEMBL6608445

SCHEMBL6608445

CCOP(=O)(Cc1ccc(NC(=O)CCc2sc(NC(=O)CCc3ccccc3)nc2-c2ccc(Cl)cc2)cc1)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLTP P55058 1/20 0.47
PTGDR2 Q9Y5Y4 5/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
NPC1 O15118 1/20 0.44
HSD17B10 Q99714 2/20 0.42
RORC P51449 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
DGAT1 O75907 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41

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
SCHEMBL5210754 0.93 MAPT (0.44) PLTPPTGDR2MAPTMEN1KMT2A
SCHEMBL5212166 0.93 PTGDR2 (0.54) PLTPPTGDR2MAPTMEN1KMT2A
SCHEMBL5212864 0.92 PTGDR2 (0.43) PLTPPTGDR2MAPTMEN1KMT2A
SCHEMBL6609290 0.91 GRM4 (0.44) PLTPPTGDR2MAPTMEN1KMT2A
SCHEMBL5210337 0.90 PTGDR2 (0.42) PLTPPTGDR2MAPTMEN1KMT2A
SCHEMBL5214026 0.90 ALDH1A1 (0.41) PLTPPTGDR2MAPTMEN1KMT2A
SCHEMBL5207488 0.89 MAPT (0.40) PLTPPTGDR2MAPTMEN1KMT2A
SCHEMBL5212184 0.89 MAPT (0.59) PTGDR2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5214955 0.89 PTGDR2 (0.46) PTGDR2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5215193 0.88 MAPT (0.45) PTGDR2MAPTMEN1KMT2ASMN1; SMN2

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-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP disclosed