SCHEMBL7362008

SCHEMBL7362008

CC(C)(C)OC(=O)C1(COS(C)(=O)=O)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
DGAT1 O75907 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CTSK P43235 1/20 0.30

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
SCHEMBL1763977 0.83 CYP4F2 (0.33) CYP4F2CYP4A11DGAT1NPSR1
SCHEMBL12140467 0.80 CYP4F2 (0.46) CYP4F2CYP4A11NPSR1
SCHEMBL9720237 0.80 CYP4F2 (0.41) CYP4F2CYP4A11
SCHEMBL16660833 0.78 DGAT1 (0.46) CYP4F2CYP4A11DGAT1NPSR1CTSK
SCHEMBL17540555 0.78 CYP4F2 (0.44) CYP4F2CYP4A11NPSR1
SCHEMBL7365156 0.77 NAMPT (0.34) DGAT1
SCHEMBL5747724 0.76 CYP2C19 (0.47) CYP4F2CYP4A11NPSR1
SCHEMBL1764252 0.75 CYP4F2 (0.42) CYP4F2CYP4A11DGAT1NPSR1CTSK
SCHEMBL4462480 0.75 POLB (0.39)
SCHEMBL15537328 0.74 CYP2C19 (0.39)

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
US-5407960-A For cardiovascualr disorders, pain SCHERING CORPORATION (US) 1995-04-18 US disclosed
WO-1991009840-A1 MERCAPTOCYCLOACYL AMINOACID ENDOPEPTIDASE INHIBITORS SCHERING CORPORATION (US) 1991-07-11 WO disclosed