SCHEMBL7687535

SCHEMBL7687535

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.53
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ACHE P22303 1/20 0.36
CREBBP Q92793 1/20 0.36
HIF1A Q16665 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
SCHEMBL7687539 1.00 LSS (0.53) LSSMEN1KMT2ATHRATHRB
SCHEMBL3676963 0.87 LSS (0.52) LSSMEN1KMT2ATHRATHRB
SCHEMBL3676960 0.87 LSS (0.52) LSSMEN1KMT2ATHRATHRB
SCHEMBL3700933 0.86 LSS (0.71) LSSMEN1KMT2A
SCHEMBL7684578 0.86 LSS (0.71) LSSMEN1KMT2A
SCHEMBL7681554 0.85 LSS (0.46) LSSMEN1KMT2ATHRATHRB
SCHEMBL7681546 0.85 LSS (0.46) LSSMEN1KMT2ATHRATHRB
SCHEMBL7677397 0.85 LSS (0.48) LSSMEN1KMT2ATHRATHRB
SCHEMBL7677390 0.85 LSS (0.48) LSSMEN1KMT2ATHRATHRB
SCHEMBL7684015 0.84 LSS (0.45) LSSMEN1KMT2ATHRATHRB

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 4 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
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