SCHEMBL8035360

SCHEMBL8035360

C=CCCNCC=CCOc1ccc(CC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.47
PPARD Q03181 3/20 0.46
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
SRD5A2 P31213 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL8035630 0.89 LSS (0.60) LSSPPARDRXRARXRBMAPT
SCHEMBL8047705 0.84 PPARD (0.38) LSSPPARDMAPTNPC1RAB9A
SCHEMBL8045112 0.80 PPARD (0.55) LSSPPARDRXRARXRBMAPT
SCHEMBL8903933 0.80 PPARD (0.55) LSSPPARDRXRARXRBMAPT
SCHEMBL7767865 0.80 LSS (0.44) LSSPPARDMAPTNPC1RAB9A
SCHEMBL7771940 0.79 LSS (0.52) LSSMAOBMEN1KMT2A
SCHEMBL7688154 0.79 LSS (0.52) LSSMAOBMEN1KMT2A
SCHEMBL8035571 0.79 LSS (0.52) LSSSRD5A2ALDH1A1MEN1KMT2A
SCHEMBL9360246 0.78 LSS (0.46) LSSMAPTNPC1RAB9AHTT
SCHEMBL3675142 0.78 LSS (0.78) LSSPPARDMEN1KMT2A

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 1 patent. 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 claimed