SCHEMBL8729161

SCHEMBL8729161

[CH]c1c(C(F)(F)F)ccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 1/20 0.30
CES2 O00748 1/20 0.30
IDO1 P14902 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30

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 0.80 POLB (0.36) HSD11B1POLBALDH1A1TDP1L3MBTL1
SCHEMBL8729606 0.77 HSD11B1 (0.33) HSD11B1POLBALDH1A1TDP1L3MBTL1
SCHEMBL8728398 0.75 ALDH1A1 (0.41) HSD11B1POLBALDH1A1TDP1L3MBTL1
SCHEMBL2000756 0.75 HSD11B1 (0.46) HSD11B1POLBALDH1A1TDP1L3MBTL1
SCHEMBL4299413 0.74 NOTUM (0.36) HSD11B1POLBCES2GLAGAA
Lithium SCHEMBL5691154 0.72 HSD11B1 (0.44) HSD11B1POLBALDH1A1TDP1L3MBTL1
SCHEMBL12310597 0.70 GAA (0.32) HSD11B1POLBALDH1A1CES2GLA
SCHEMBL6157191 0.70 HSD11B1 (0.40) HSD11B1POLBALDH1A1TDP1L3MBTL1
SCHEMBL1041762 0.70 SMN1; SMN2 (0.40) HSD11B1POLBALDH1A1TDP1L3MBTL1
SCHEMBL17341739 0.69 POLB (0.33) POLBALDH1A1TDP1L3MBTL1CES2

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