SCHEMBL4780773

SCHEMBL4780773

CCOC(=O)C=C(ONC(=N)C1(OCCO)CCCC1)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4780770 1.00 NPSR1 (0.35) NPSR1
SCHEMBL1169660 1.00 NPSR1 (0.35) NPSR1
SCHEMBL1169566 0.98 NPSR1 (0.35) NPSR1
SCHEMBL1169568 0.98 NPSR1 (0.35) NPSR1
SCHEMBL14064605 0.95 NPSR1 (0.37) NPSR1
SCHEMBL14422266 0.91 NPSR1 (0.34) NPSR1
SCHEMBL1169979 0.91 NPSR1 (0.34) NPSR1
SCHEMBL1170141 0.91 NPSR1 (0.34) NPSR1
SCHEMBL12776810 0.88 NPSR1 (0.32) NPSR1
SCHEMBL2079406 0.87 NPSR1 (0.32) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008002959-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-03 WO disclosed