SCHEMBL7559768

SCHEMBL7559768

COc1c(C)ccc2[nH]c(=O)c(C(=O)N(C)c3ccc(F)cc3F)c(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
PIK3C3 Q8NEB9 3/20 0.35
TDP1 Q9NUW8 1/20 0.34
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 1/20 0.33
STS P08842 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
DAO P14920 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
GSK3B P49841 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL7558781 0.92 MAPT (0.40) MAPTHSD17B1HSD17B2TDP1PARP1
SCHEMBL7557389 0.86 MAPT (0.43) MAPTHSD17B1HSD17B2PIK3C3KDM4E
SCHEMBL7558377 0.85 MAPT (0.42) MAPTHSD17B1HSD17B2PIK3C3TDP1
SCHEMBL7558786 0.83 MAPT (0.41) MAPTHSD17B1HSD17B2PIK3C3PARP1
SCHEMBL7563319 0.78 HTR1A (0.36) MAPTHSD17B1HSD17B2KDM4EGPBAR1
SCHEMBL7558487 0.78 MAPT (0.41) MAPTHSD17B1HSD17B2PIK3C3KDM4E
SCHEMBL6204567 0.77 HDAC4 (0.49) MAPTGPBAR1
SCHEMBL7557878 0.77 MAPT (0.39) MAPTHSD17B1HSD17B2PIK3C3PARP1
SCHEMBL7561988 0.77 MAPT (0.40) MAPTTDP1KDM4EDAOGSK3B
SCHEMBL7826245 0.76 NPSR1 (0.39) MAPTPARP1KDM4E

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 claimed
WO-2001030758-A1 DRUGS FOR THE TREATMENT OF MALIGNANT TUMOURS ACTIVE BIOTECH AB (SE) 2001-05-03 WO claimed