SCHEMBL8047384

SCHEMBL8047384

O=C(c1ccc(Br)cc1)c1ccc(OC/C=C/CBr)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.43
ACHE P22303 1/20 0.39
PPARD Q03181 1/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PTGFR P43088 1/20 0.36
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL8904544 1.00 LSS (0.43) LSSACHEPPARDLMNAMAPK1
SCHEMBL8053044 0.87 ALDH1A1 (0.48) LSSPPARDLMNAMAPK1RAB9A
SCHEMBL8053045 0.87 ALDH1A1 (0.48) LSSPPARDLMNAMAPK1RAB9A
SCHEMBL7687468 0.85 GSK3B (0.40) ACHEMAPTALDH1A1
SCHEMBL7687463 0.85 GSK3B (0.40) ACHEMAPTALDH1A1
SCHEMBL7688254 0.85 LSS (0.39) LSSPPARDMAPK1MEN1MAPT
SCHEMBL7688257 0.85 LSS (0.39) LSSPPARDMAPK1MEN1MAPT
SCHEMBL8044773 0.85 ACHE (0.36) ACHELMNAMAPK1RAB9AHTT
SCHEMBL8903738 0.85 ACHE (0.36) ACHELMNAMAPK1RAB9AHTT
SCHEMBL8046114 0.83 PPARD (0.44) LSSPPARDLMNAMAPTHTT

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