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SCHEMBL7679269

SCHEMBL7679269

C=CCN(C)C/C=C/COc1ccc(C(=O)C[C@@H](C=C(C)C)OC(=O)/C=C/C(=O)O[C@H](C=C(C)C)CC(=O)c2ccc(OC/C=C/CN(C)CC=C)c(F)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 10/20 0.41
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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 0.87 LSS (0.45) LSSTHRATHRBKDM4EMEN1
SCHEMBL7684015 0.87 LSS (0.45) LSSTHRATHRBKDM4EMEN1
SCHEMBL7684020 0.87 LSS (0.45) LSSTHRATHRBKDM4EMEN1
SCHEMBL7684026 0.87 LSS (0.45) LSSTHRATHRBKDM4EMEN1
SCHEMBL7682139 0.86 LSS (0.55) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7679276 0.85 LSS (0.42) LSSTHRATHRBKDM4EMEN1
Fumaric Acid SCHEMBL7679264 0.85 LSS (0.42) LSSTHRATHRBKDM4EMEN1
SCHEMBL7694054 0.82 LSS (0.41) LSSTHRATHRBMEN1KMT2A
SCHEMBL7687539 0.80 LSS (0.53) LSSTHRATHRBKDM4EMEN1
SCHEMBL7687535 0.80 LSS (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441177-B1 Tertiary amines HOFFMANN-LA ROCHE INC. 2002-08-27 — — US disclosed
US-6034275-A FUGICIDES; ATICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-03-07 — — US disclosed