SCHEMBL8478939

SCHEMBL8478939

C=CCN(C)c1ccc(OCCCCCC)c(NC)c1C(=O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LSS P48449 16/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
SMPD1 P17405 3/20 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
SCHEMBL8483920 0.87 LSS (0.51) LSSMEN1KMT2ATHRATHRB
SCHEMBL8482871 0.87 LSS (0.50) LSSMEN1KMT2ATHRATHRB
SCHEMBL8483830 0.86 LSS (0.49) LSSMEN1KMT2ATHRATHRB
SCHEMBL8481295 0.85 LSS (0.46) LSSMEN1KMT2ASMPD1
SCHEMBL8485033 0.84 LSS (0.49) LSSMEN1KMT2ATHRATHRB
SCHEMBL8479424 0.72 LSS (0.49) LSSMEN1KMT2ATHRATHRB
SCHEMBL8045882 0.68 LSS (0.74) LSSMEN1KMT2A
SCHEMBL3679175 0.67 LSS (0.72) LSSMEN1KMT2A
SCHEMBL3682279 0.67 LSS (0.72) LSSMEN1KMT2A
SCHEMBL8478934 0.66 LSS (0.44) LSSMEN1KMT2A

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
US-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed