SCHEMBL8729606

SCHEMBL8729606

[CH]c1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL5795608 0.84 POLB (0.36) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL8729161 0.77 HSD11B1 (0.34) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL2000756 0.73 HSD11B1 (0.46) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL4299413 0.72 NOTUM (0.36) HSD11B1POLBMEN1KMT2A
SCHEMBL7028820 0.72 CES2 (0.34) HSD11B1POLB
Lithium SCHEMBL5691154 0.70 HSD11B1 (0.44) HSD11B1ALDH1A1POLBTDP1L3MBTL1
SCHEMBL23628452 0.70 GLA (0.33) HSD11B1POLB
SCHEMBL1263960 0.70 NOTUM (0.50)
SCHEMBL1053235 0.70 HSD11B1 (0.30) HSD11B1
SCHEMBL4542512 0.70 KIF11 (0.36) MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed