SCHEMBL15313395

SCHEMBL15313395

COC(=O)C12CCCC(C(=O)OC)(CC1)C2B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL12919609 0.98 NPSR1 (0.33) NPSR1
SCHEMBL15313393 0.71 NPSR1 (0.41) NPSR1
SCHEMBL12919617 0.71 PTPN2 (0.33)
SCHEMBL15313392 0.70 NPSR1 (0.39) NPSR1
SCHEMBL12919607 0.69 NPSR1 (0.42) NPSR1
SCHEMBL12919608 0.67 NPSR1 (0.41) NPSR1
SCHEMBL25875774 0.67
SCHEMBL2833742 0.66 CYP3A4 (0.44) NPSR1
SCHEMBL20054732 0.65 CYP3A4 (0.50) NPSR1
SCHEMBL20054680 0.65 CYP3A4 (0.37) 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
US-8558013-B2 Electroluminescent materials LOMOX LIMITED (GB) 2013-10-15 US disclosed