SCHEMBL8044773

SCHEMBL8044773

O=C(c1ccc(OC/C=C/CBr)c(F)c1)c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MRGPRX4 Q96LA9 4/20 0.35
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE4D Q08499 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8903738 1.00 ACHE (0.36) ACHELMNAMAPK1HTTRAB9A
SCHEMBL8047384 0.85 LSS (0.43) ACHELMNAMAPK1HTTRAB9A
SCHEMBL8904544 0.85 LSS (0.43) ACHELMNAMAPK1HTTRAB9A
SCHEMBL7687463 0.81 GSK3B (0.40) ACHE
SCHEMBL7687468 0.81 GSK3B (0.40) ACHE
SCHEMBL3676963 0.79 LSS (0.52) ACHETHRATHRBPOLB
SCHEMBL3676960 0.79 LSS (0.52) ACHETHRATHRBPOLB
SCHEMBL8047273 0.79 IL2 (0.35) ACHEMRGPRX4PDE4D
SCHEMBL10834700 0.74 L3MBTL1 (0.43) MAPK1MRGPRX4
SCHEMBL10652358 0.74 L3MBTL1 (0.43) MAPK1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP disclosed
US-5637771-A Compound useful for lowering cholesterol HOFFMANN-LA ROCHE INC. (US) 1997-06-10 US disclosed
US-5574071-A ADMINISTERING PHENYLALKYLAMINO KETONES HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed
US-5495048-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
EP-0636367-A1 Use of phenylalkylamines for producing cholesterol lowering agents F. HOFFMANN-LA ROCHE AG (CH) 1995-02-01 EP disclosed