SCHEMBL2658566

SCHEMBL2658566

COC1(NC2CCCCC2)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL2660197 1.00 MAPT (0.39) MAPTALDH1A1HSD17B10NPSR1MAPK1
SCHEMBL2659555 1.00 MAPT (0.39) MAPTALDH1A1HSD17B10NPSR1MAPK1
SCHEMBL27875747 0.88 MAPT (0.33) MAPTALDH1A1HSD17B10NPSR1MAPK1
SCHEMBL2658624 0.83 MAPT (0.37) MAPTALDH1A1HSD17B10NPSR1
SCHEMBL2659785 0.78 SHBG (0.34) MAPTALDH1A1HSD17B10NPSR1
SCHEMBL2661080 0.78 EPHX1 (0.33) MAPTALDH1A1HSD17B10
SCHEMBL2658572 0.78 EPHX1 (0.33) MAPTALDH1A1HSD17B10
SCHEMBL2659288 0.78 SHBG (0.34) MAPTALDH1A1HSD17B10NPSR1
SCHEMBL2658653 0.78 SHBG (0.34) MAPTALDH1A1HSD17B10NPSR1
SCHEMBL2658545 0.77 LMNA (0.36) MAPTNPSR1EPHX2

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
EP-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed