SCHEMBL4241876

SCHEMBL4241876

NC(CNC1CO1)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
METAP2 P50579 3/20 0.32
METAP1 P53582 2/20 0.32
PRKCI P41743 1/20 0.32
ANPEP P15144 2/20 0.31
ERAP2 Q6P179 2/20 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 0.74 ANPEP (0.36) DPP4ANPEPERAP2
SCHEMBL10305516 0.73 DPP4 (0.43) DPP4METAP1ANPEP
SCHEMBL21082771 0.73 MEN1 (0.41) DPP4METAP2PRKCI
SCHEMBL10258262 0.73 MEN1 (0.41) DPP4METAP2PRKCI
SCHEMBL13502927 0.70 METAP2 (0.36) DPP4METAP2PRKCIANPEP
SCHEMBL27689737 0.68 CYP2D6 (0.50) DPP4METAP2METAP1ANPEP
SCHEMBL3599047 0.68 CYP2D6 (0.50) DPP4METAP2METAP1ANPEP
SCHEMBL3599048 0.68 CYP2D6 (0.50) DPP4METAP2METAP1ANPEP
SCHEMBL3909020 0.68 EPHX1 (0.42) DPP4
SCHEMBL3909022 0.68 EPHX1 (0.42) DPP4

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