SCHEMBL7558487

SCHEMBL7558487

CCc1ccc(C)c2[nH]c(=O)c(C(=O)N(C)c3ccc(F)cc3F)c(O)c12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
RORC P51449 2/20 0.35
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
PIK3C3 Q8NEB9 2/20 0.33
RIPK1 Q13546 2/20 0.33
MAPK14 Q16539 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
TSHR P16473 1/20 0.32
PIK3CA P42336 1/20 0.32
NEK1 Q96PY6 1/20 0.31
GSK3B P49841 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM5A P29375 1/20 0.31

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
SCHEMBL7559757 0.85 MAPT (0.39) MAPTHSD17B1HSD17B2PIK3C3HTR1A
SCHEMBL7558377 0.85 MAPT (0.42) MAPTHSD17B1HSD17B2PIK3C3HTR1A
SCHEMBL7557389 0.80 MAPT (0.43) MAPTRORCHSD17B1HSD17B2PIK3C3
SCHEMBL7559768 0.78 MAPT (0.48) MAPTHSD17B1HSD17B2PIK3C3HTR1A
SCHEMBL7563264 0.78 MAPT (0.38) MAPTHSD17B1HSD17B2KDM4EHSD17B10
SCHEMBL7558786 0.77 MAPT (0.41) MAPTHSD17B1HSD17B2PIK3C3HTR1A
SCHEMBL7557878 0.77 MAPT (0.39) MAPTHSD17B1HSD17B2PIK3C3PIK3CA
SCHEMBL7561988 0.76 MAPT (0.40) MAPTRORCPIK3CAGSK3BKDM4E
SCHEMBL7615932 0.75 MAPT (0.39) MAPTRORCPIK3CAGSK3BKDM4E
SCHEMBL7617548 0.73 MAPT (0.38) MAPTRORCPIK3CAGSK3BKDM4E

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-1224172-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS Active Biotech AB (SE) 2002-07-24 EP disclosed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO disclosed