SCHEMBL4458638

SCHEMBL4458638

O=C(NCC(O)CNc1cc[c]cc1)c1ccc(Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 3/20 0.39
F10 P00742 5/20 0.39
KDM4E B2RXH2 2/20 0.38
GSK3B P49841 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
F2 P00734 1/20 0.36
DAO P14920 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
SCHEMBL78671 0.87 HPGD (0.49) MAPK1HPGDTSHRLMNAF10
SCHEMBL77756 0.84 MAPK1 (0.41) MAPK1HPGDTSHRLMNAF10
SCHEMBL4278332 0.84 MAPK1 (0.41) MAPK1HPGDTSHRLMNAF10
SCHEMBL78765 0.84 MAPK1 (0.43) MAPK1HPGDTSHRF10KDM4E
SCHEMBL15731743 0.84 F10 (0.48) MAPK1HPGDTSHRLMNAF10
SCHEMBL78057 0.82 MAPK1 (0.40) MAPK1HPGDTSHRLMNAF10
SCHEMBL4461123 0.82 MAPK1 (0.40) MAPK1HPGDTSHRLMNAF10
SCHEMBL4557626 0.82 MAPK1 (0.44) MAPK1HPGDTSHRLMNAF10
SCHEMBL16416468 0.81 MAPK1 (0.52) MAPK1HPGDTSHRLMNAF10
SCHEMBL14830273 0.81 MAPK1 (0.52) MAPK1HPGDTSHRLMNAF10

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
EP-2099453-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-16 EP disclosed
EP-1937271-A1 MICROANGIOPATHY TREATMENT AND PREVENTION Bayer HealthCare AG (DE) 2008-07-02 EP disclosed
EP-1933841-A1 COMBINATION THERAPY COMPRISING SUBSTITUTED OXAZOLIDINONES FOR THE PREVENTION AND TREATMENT OF CEREBRAL CIRCULATORY DISORDERS Bayer HealthCare AG (DE) 2008-06-25 EP disclosed
WO-2008052671-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-08 WO disclosed
WO-2007042146-A1 MICROANGIOPATHY TREATMENT AND PREVENTION BAYER HEALTHCARE AG (DE) 2007-04-19 WO disclosed
WO-2007039134-A1 COMBINATION THERAPY COMPRISING SUBSTITUTED OXAZOLIDINONES FOR THE PREVENTION AND TREATMENT OF CEREBRAL CIRCULATORY DISORDERS BAYER HEALTHCARE AG (DE) 2007-04-12 WO disclosed