SCHEMBL7688081

SCHEMBL7688081

C=CCN(C)C/C=C/COc1ccc(C(=O)/C=C/C=C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LSS P48449 16/20 0.62
PTPN1 P18031 1/20 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
SCHEMBL7688083 1.00 LSS (0.62) LSSPTPN1
Fumaric Acid SCHEMBL7688709 0.97 LSS (0.59) LSS
Fumaric Acid SCHEMBL7688712 0.97 LSS (0.59) LSS
SCHEMBL7681554 0.83 LSS (0.46) LSSPTPN1
SCHEMBL7685150 0.83 LSS (0.48) LSSPTPN1
SCHEMBL7681546 0.83 LSS (0.46) LSSPTPN1
SCHEMBL7685145 0.83 LSS (0.48) LSSPTPN1
SCHEMBL7677292 0.83 LSS (0.73) LSS
SCHEMBL7677286 0.83 LSS (0.73) LSS
Fumaric Acid SCHEMBL7681356 0.81 LSS (0.44) LSS

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