SCHEMBL7681955

SCHEMBL7681955

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 14/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.36
OPRK1 P41145 1/20 0.36
MAOB P27338 3/20 0.36
MAOA P21397 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
SCHEMBL7681960 1.00 LSS (0.47) LSSMEN1KMT2AKDM4EOPRK1
SCHEMBL7681964 1.00 LSS (0.47) LSSMEN1KMT2AKDM4EOPRK1
SCHEMBL7768122 1.00 LSS (0.47) LSSMEN1KMT2AKDM4EOPRK1
SCHEMBL7683076 0.85 LSS (0.48) LSSMEN1KMT2AKDM4EMAOB
SCHEMBL7683085 0.85 LSS (0.48) LSSMEN1KMT2AKDM4EMAOB
SCHEMBL7767798 0.84 LSS (0.60) LSSMEN1KMT2AKDM4EOPRK1
SCHEMBL7679255 0.84 LSS (0.60) LSSMEN1KMT2AKDM4EOPRK1
SCHEMBL7679251 0.84 LSS (0.60) LSSMEN1KMT2AKDM4EOPRK1
SCHEMBL7679262 0.84 LSS (0.60) LSSMEN1KMT2AKDM4EOPRK1
SCHEMBL7683408 0.84 LSS (0.56) LSSMEN1KMT2AMAOBMAOA

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