SCHEMBL9178484

SCHEMBL9178484

CC(C)(C)OC(=O)N=C(NCCCCCCNC(=O)CNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
TGM2 P21980 1/20 0.45
HTT P42858 1/20 0.44
SYK P43405 1/20 0.44
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 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
SCHEMBL9179022 1.00 MAPT (0.48) MAPTTGM2HTTSYKKLK7
SCHEMBL26374272 0.88 SMN1; SMN2 (0.50) MAPTTGM2HTTSYKKLK7
SCHEMBL16573491 0.86 MAPT (0.58) MAPTTGM2HTTSYKKLK7
SCHEMBL17923247 0.86 MAPT (0.58) MAPTTGM2HTTSYKKLK7
SCHEMBL13243337 0.84 HTT (0.44) MAPTTGM2HTTSYKKLK7
SCHEMBL28633511 0.83 MAPT (0.52) MAPTTGM2HTTSYKKLK7
SCHEMBL5554812 0.83 HTT (0.56) MAPTTGM2HTTSYKKLK7
SCHEMBL5554967 0.83 HTT (0.56) MAPTTGM2HTTSYKKLK7
SCHEMBL18854869 0.83 KLK7 (0.54) MAPTKLK7KLK5
SCHEMBL18854887 0.83 KLK7 (0.54) MAPTKLK7KLK5

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
US-5476870-A Immunosuppressants FOURNIER INDUSTRIE ET SANTE (FR) 1995-12-19 US disclosed