SCHEMBL7684015

SCHEMBL7684015

C=CCN(C)C/C=C/COc1ccc(C(=O)CC(O)C=C(C)C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.45
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PRSS1 P07477 1/20 0.32
TMPRSS15 P98073 1/20 0.32

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
SCHEMBL7769440 1.00 LSS (0.45) LSSTHRATHRBKDM4EMEN1
SCHEMBL7684020 1.00 LSS (0.45) LSSTHRATHRBKDM4EMEN1
SCHEMBL7684026 1.00 LSS (0.45) LSSTHRATHRBKDM4EMEN1
Fumaric Acid SCHEMBL7679264 0.96 LSS (0.42) LSSTHRATHRBKDM4EMEN1
Fumaric Acid SCHEMBL7679276 0.96 LSS (0.42) LSSTHRATHRBKDM4EMEN1
SCHEMBL7677323 0.90 LSS (0.40) LSSTHRATHRBKDM4EMEN1
SCHEMBL7677331 0.90 LSS (0.40) LSSTHRATHRBKDM4EMEN1
Fumaric Acid SCHEMBL7681876 0.88 LSS (0.38) LSSTHRATHRBKDM4E
Fumaric Acid SCHEMBL7681885 0.88 LSS (0.38) LSSTHRATHRBKDM4E
SCHEMBL7679269 0.87 LSS (0.41) LSSTHRATHRBKDM4EMEN1

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