SCHEMBL4241878

SCHEMBL4241878

NC(CCCNC1CO1)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
DPP4 P27487 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL4238451 0.79 ANPEP (0.36) DPP4EPHX1
SCHEMBL3834490 0.75 EPHX1 (0.44) SIGMAR1DPP4EPHX1
SCHEMBL10866419 0.73 EPHX1 (0.42) SIGMAR1DPP4EPHX1
SCHEMBL11434637 0.73 EPHX1 (0.42) SIGMAR1DPP4EPHX1
SCHEMBL11301452 0.73 EPHX1 (0.42) SIGMAR1DPP4EPHX1
SCHEMBL11132748 0.71 SIGMAR1 (0.39) SIGMAR1DPP4EPHX1
SCHEMBL2781157 0.71 EPHX1 (0.48) SIGMAR1DPP4EPHX1
SCHEMBL4243546 0.70 EPHX1 (0.44) SIGMAR1DPP4EPHX1
SCHEMBL28291254 0.69 SIGMAR1 (0.39) SIGMAR1DPP4EPHX1
SCHEMBL5806546 0.69 SHBG (0.43) SIGMAR1DPP4EPHX1

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-20090118151-A1 Metal-Processing Oil Composition and Metal-Processing Method KYODO YUSHI CO., LTD. (JP) 2009-05-07 US disclosed
EP-1892282-A1 METALWORKING FLUID COMPOSITION AND METALWORKING PROCESS KYODO YUSHI CO., LTD. (JP) 2008-02-27 EP disclosed