SCHEMBL7683076

SCHEMBL7683076

C=CCN(C)C/C=C/COc1ccc(C(=O)CCC=C(C)C)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NDUFS8 O00217 1/20 0.35
COXFA4 O00483 1/20 0.35
NDUFAB1 O14561 1/20 0.35
NDUFA1 O15239 1/20 0.35
NDUFS4 O43181 1/20 0.35
NDUFB5 O43674 1/20 0.35
NDUFB3 O43676 1/20 0.35
NDUFC1 O43677 1/20 0.35
NDUFA2 O43678 1/20 0.35
NDUFS5 O43920 1/20 0.35
NDUFS7 O75251 1/20 0.35
NDUFS2 O75306 1/20 0.35
NDUFS6 O75380 1/20 0.35
NDUFB1 O75438 1/20 0.35
NDUFS3 O75489 1/20 0.35

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
SCHEMBL7683085 1.00 LSS (0.48) LSSMEN1KMT2AMAOBKDM4E
SCHEMBL7687862 0.87 LSS (0.47) LSSMEN1KMT2AMAOBKDM4E
SCHEMBL7687868 0.87 LSS (0.47) LSSMEN1KMT2AMAOBKDM4E
SCHEMBL7683408 0.85 LSS (0.56) LSSMEN1KMT2AMAOBMAOA
SCHEMBL7683401 0.85 LSS (0.56) LSSMEN1KMT2AMAOBMAOA
SCHEMBL7681960 0.85 LSS (0.47) LSSMEN1KMT2AMAOBKDM4E
SCHEMBL7681964 0.85 LSS (0.47) LSSMEN1KMT2AMAOBKDM4E
SCHEMBL7681955 0.85 LSS (0.47) LSSMEN1KMT2AMAOBKDM4E
SCHEMBL7768122 0.85 LSS (0.47) LSSMEN1KMT2AMAOBKDM4E
SCHEMBL3684952 0.83 LSS (0.62) LSSMEN1KMT2AMAPT

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 5 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
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed