SCHEMBL8045112

SCHEMBL8045112

O=C(Cc1ccc(OC/C=C/CBr)cc1)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.55
LSS P48449 3/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
MAOB P27338 2/20 0.46
SRD5A2 P31213 1/20 0.45
GSK3B P49841 1/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL8903933 1.00 PPARD (0.55) PPARDLSSRXRARXRBMAOB
SCHEMBL7685521 0.84 LSS (0.62) PPARDLSSRXRARXRBMAOB
SCHEMBL7685512 0.84 LSS (0.62) PPARDLSSRXRARXRBMAOB
SCHEMBL8046114 0.80 PPARD (0.44) PPARDLSSRXRARXRBGSK3B
SCHEMBL8903864 0.80 PPARD (0.44) PPARDLSSRXRARXRBGSK3B
SCHEMBL8035360 0.80 LSS (0.47) PPARDLSSRXRARXRBMAOB
SCHEMBL3675142 0.80 LSS (0.78) PPARDLSS
SCHEMBL3675144 0.80 LSS (0.78) PPARDLSS
SCHEMBL9553540 0.79 LSS (0.54) PPARDLSSRXRARXRBMAOB
SCHEMBL9553546 0.79 LSS (0.54) PPARDLSSRXRARXRBMAOB

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