SCHEMBL8366395

SCHEMBL8366395

COC(=O)Cn1c(=O)ccc2cc(OC)ccc21

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.47
HPGD P15428 4/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
MTNR1A P48039 5/20 0.47
MTNR1B P49286 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
DYRK1A Q13627 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL8368861 0.87 PTGS1 (0.50) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3720936 0.86 MAPK8 (0.50) MAPTKDM4EALDH1A1HSD17B10TP53
SCHEMBL29456313 0.86 MAPK8 (0.50) MAPTKDM4EALDH1A1HSD17B10TP53
SCHEMBL14564395 0.84 MAPT (0.51) MAPTKDM4EALDH1A1HSD17B10TP53
SCHEMBL3776134 0.83 NAMPT (0.47) MAPTKDM4EALDH1A1HSD17B10TP53
SCHEMBL6717869 0.82 MAPT (0.55) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4049057 0.81 GRIK1 (0.55) MAPTKDM4EMTNR1AMTNR1BSMN1; SMN2
SCHEMBL29456293 0.80 MAPK9 (0.52) KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3783019 0.80 MAPK9 (0.52) KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13100002 0.80 KDM4E (0.49) MAPTKDM4EALDH1A1HSD17B10LMNA

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-5958924-A HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS, RESTENOSIS, ANTICOALUGANTS, RESPIRATORY SYSTEM DISORDERS SYNTHELABO (FR) 1999-09-28 US disclosed