SCHEMBL4765447

SCHEMBL4765447

CC(C)(C)[N+]1(C(=O)[O-])C[C@H](O)C[C@@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3949961 0.83 LMNA (0.33) LMNATHRBCYP2C19
SCHEMBL1693135 0.82
SCHEMBL3948771 0.81 LMNA (0.33) LMNATHRBCYP2C19
SCHEMBL3955359 0.77 LMNA (0.39) LMNATHRBCYP2C19
SCHEMBL1302820 0.75 LMNA (0.44) LMNATHRBCYP2C19
SCHEMBL3950223 0.74 FFAR4 (0.34) LMNA
SCHEMBL3948575 0.74 PPM1D (0.31)
SCHEMBL4595854 0.74
SCHEMBL3954238 0.73 LMNA (0.36) LMNATHRBCYP2C19
SCHEMBL3954955 0.73 PKM (0.36) LMNA

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
EP-1686996-A4 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP disclosed
EP-1686996-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2006-08-09 EP disclosed
EP-1651229-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS Chiron Corporation (US) 2006-05-03 EP disclosed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 WO disclosed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 WO disclosed