SCHEMBL8050168

SCHEMBL8050168

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.56
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PPARD Q03181 4/20 0.43
MAOB P27338 2/20 0.43
SRD5A2 P31213 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7769424 0.86 LSS (0.56) LSSMAPTMEN1KMT2ALMNA
SCHEMBL7688510 0.86 LSS (0.56) LSSMAPTMEN1KMT2ALMNA
SCHEMBL8035630 0.85 LSS (0.60) LSSMAPTMEN1KMT2ALMNA
SCHEMBL7688373 0.84 LSS (0.60) LSSMAPTMEN1KMT2ALMNA
SCHEMBL7688375 0.84 LSS (0.60) LSSMAPTMEN1KMT2ALMNA
SCHEMBL7768109 0.83 LSS (0.56) LSSMAPTMEN1KMT2ALMNA
SCHEMBL7771941 0.81 LSS (0.60) LSSMAPTMEN1KMT2ALMNA
SCHEMBL7679275 0.81 LSS (0.60) LSSMAPTMEN1KMT2ALMNA
SCHEMBL7686218 0.79 LSS (0.62) LSSMAPTMEN1KMT2ALMNA
SCHEMBL7686216 0.79 LSS (0.62) LSSMAPTMEN1KMT2ALMNA

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