SCHEMBL7681652

SCHEMBL7681652

C=CCN(C)C/C=C/COc1ccc([C@@](O)(C=C)c2ccc(Br)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 19/20 0.68
PYCR1 P32322 1/20 0.41
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL7681645 1.00 LSS (0.68) LSSPYCR1MEN1KMT2A
SCHEMBL7681654 1.00 LSS (0.68) LSSPYCR1MEN1KMT2A
SCHEMBL7681419 0.89 LSS (0.69) LSSPYCR1MEN1KMT2A
SCHEMBL7681430 0.89 LSS (0.69) LSSPYCR1MEN1KMT2A
SCHEMBL7695130 0.89 LSS (0.69) LSSPYCR1MEN1KMT2A
SCHEMBL7697906 0.89 LSS (0.69) LSSPYCR1MEN1KMT2A
SCHEMBL7695129 0.89 LSS (0.69) LSSPYCR1MEN1KMT2A
SCHEMBL7697908 0.89 LSS (0.69) LSSPYCR1MEN1KMT2A
SCHEMBL7681797 0.86 LSS (0.65) LSSPYCR1MEN1KMT2A
SCHEMBL7681789 0.86 LSS (0.65) LSSPYCR1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US claimed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP claimed
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 US disclosed
EP-0778264-A1 Tertiary amines having antimycotic and cholesterol lowering activity F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed