SCHEMBL2936801

SCHEMBL2936801

CCCC(F)OC(=O)NCc1cccc(C(CP(=O)(O)C(N)C(C)C)C(=O)OC(F)CCC)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.35
S1PR4 O95977 3/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR5 Q9H228 3/20 0.35
KCNB1 Q14721 2/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRB2 P62993 1/20 0.32
CASP3 P42574 1/20 0.32
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32
CARM1 Q86X55 1/20 0.32
S1PR2 O95136 1/20 0.32

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
SCHEMBL6130843 0.93 S1PR1 (0.37) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL2940083 0.89 KCNB1 (0.33) S1PR1S1PR4S1PR3S1PR5KCNB1
SCHEMBL6130870 0.85 ALDH1A1 (0.33) KCNB1KCNA5KCNH2
SCHEMBL2933823 0.84 PRTN3 (0.44)
SCHEMBL2354971 0.79 GLS (0.39)
SCHEMBL2939235 0.78 PRTN3 (0.46)
SCHEMBL6130885 0.77 ALDH1A1 (0.34) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL2939670 0.77 PPARG (0.34) S1PR1S1PR4S1PR3S1PR5
SCHEMBL6130863 0.72 ECE1 (0.37)
SCHEMBL6130891 0.71 FOLH1 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4472997-B2 2010-06-02 JP claimed
EP-1874322-A1 USE OF TAFI INHIBITORS FOR ENHANCED MYOCARDIAL REPERFUSION AND FACILITATED PCI Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-09 EP claimed
WO-2006113247-A1 USE OF TAFI INHIBITORS FOR ENHANCED MYOCARDIAL REPERFUSION AND FACILITATED PCI BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-26 WO claimed
JP-2006504622-A 2006-02-09 JP claimed
EP-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 EP claimed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO claimed
EP-1874322-A1 USE OF TAFI INHIBITORS FOR ENHANCED MYOCARDIAL REPERFUSION AND FACILITATED PCI Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-09 EP disclosed
EP-1817041-A2 TAFI INHIBITORS AND THEIR USE TO TREAT PULMONARY FIBROSIS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-15 EP disclosed
WO-2006113247-A1 USE OF TAFI INHIBITORS FOR ENHANCED MYOCARDIAL REPERFUSION AND FACILITATED PCI BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-26 WO disclosed
WO-2006041808-A2 TAFI INHIBITORS AND THEIR USE TO TREAT PULMONARY FIBROSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-04-20 WO disclosed
EP-1497300-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS Schering Aktiengesellschaft (DE) 2005-01-19 EP disclosed
WO-2003080631-A2 PLASMA CARBOXYPEPTIDASE B INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-02 WO disclosed