SCHEMBL7938115

SCHEMBL7938115

COc1cc(N2CC(CNC(C)=O)OC2=O)cc(OC)c1-c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.46
MAOB P27338 2/20 0.46
PTGS1 P23219 2/20 0.46
SDHA P31040 2/20 0.46
LMNA P02545 1/20 0.46
CALML3 P27482 1/20 0.46
ABCB11 O95342 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.42
F10 P00742 3/20 0.41

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
SCHEMBL7945883 0.91 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7945884 0.89 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7945878 0.89 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7938079 0.87 ABCB11 (0.48) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7944580 0.87 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9368026 0.85 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8609638 0.84 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL21324902 0.84 ABCB11 (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10423881 0.84 ABCB11 (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10435848 0.83 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3176626-B2 2001-06-18 JP claimed
US-5565571-A BACTERICIDES THE UPJOHN COMPANY (US) 1996-10-15 US claimed
EP-0610265-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS. UPJOHN CO (US) 1994-08-17 EP claimed
WO-1993009103-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1993-05-13 WO claimed
EP-0610265-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS. UPJOHN CO (US) 1994-08-17 EP disclosed
WO-1993009103-A1 SUBSTITUTED ARYL- AND HETEROARYLPHENYLOXAZOLIDINONES USEFUL AS ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1993-05-13 WO disclosed