SCHEMBL8046114

SCHEMBL8046114

O=C(Cc1ccc(OC/C=C/CBr)c(F)c1)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.44
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GSK3B P49841 2/20 0.37
SMPD1 P17405 1/20 0.35
LSS P48449 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8903864 1.00 PPARD (0.44) PPARDNPC1LMNAHTTGSK3B
SCHEMBL8904544 0.83 LSS (0.43) PPARDLMNAHTTLSSMAPT
SCHEMBL8047384 0.83 LSS (0.43) PPARDLMNAHTTLSSMAPT
SCHEMBL3678869 0.82 LSS (0.58) PPARDLSS
SCHEMBL8047705 0.82 PPARD (0.38) PPARDNPC1LMNAHTTSMPD1
SCHEMBL3678870 0.82 LSS (0.58) PPARDLSS
SCHEMBL8045112 0.80 PPARD (0.55) PPARDGSK3BLSSRXRARXRB
SCHEMBL8903933 0.80 PPARD (0.55) PPARDGSK3BLSSRXRARXRB
SCHEMBL7688254 0.76 LSS (0.39) PPARDNPC1HTTLSSMAPT
SCHEMBL7688257 0.76 LSS (0.39) PPARDNPC1HTTLSSMAPT

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