SCHEMBL8750799

SCHEMBL8750799

CCOC(CCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)OCC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
HDAC8 Q9BY41 1/20 0.52
F10 P00742 4/20 0.49
PTPN1 P18031 1/20 0.49
PREP P48147 2/20 0.47
PRCP P42785 1/20 0.47
ABCB11 O95342 1/20 0.45
ACE P12821 1/20 0.45
CXCR3 P49682 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7045160 0.88 NPSR1 (0.61) NPSR1HDAC8F10PTPN1PREP
SCHEMBL7627035 0.83 PRCP (0.67) NPSR1PREPPRCPSMN1; SMN2
SCHEMBL8750726 0.83 PRCP (0.64) NPSR1PREPPRCPSMN1; SMN2
SCHEMBL1061148 0.77 NPSR1 (0.60) NPSR1HDAC8F10PTPN1PREP
SCHEMBL9572243 0.76 NPSR1 (0.64) NPSR1HDAC8F10PTPN1
SCHEMBL9572242 0.76 NPSR1 (0.64) NPSR1HDAC8F10PTPN1
SCHEMBL1049445 0.76 NPSR1 (0.63) NPSR1HDAC8F10PTPN1PREP
SCHEMBL1052393 0.75 NPSR1 (0.62) NPSR1F10PTPN1ABCB11ACE
SCHEMBL14862925 0.75 NPSR1 (0.62) NPSR1F10PTPN1ABCB11ACE
SCHEMBL3629346 0.75 NPSR1 (0.62) NPSR1F10PTPN1ABCB11ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764151-A2 PURIFICATION OF SERINE PROTEASE AND SYNTHETIC INHIBITORS THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 1997-03-26 EP disclosed
WO-1995034538-A2 PURIFICATION OF SERINE PROTEASES AND SYNTHETIC INHIBITORS THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 1995-12-21 WO disclosed