SCHEMBL2420657

SCHEMBL2420657

CCCCOC(=O)CC(C(=O)O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 1/20 0.43
TSHR P16473 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2D6 P10635 1/20 0.38
NAAA Q02083 3/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28342738 0.85 NPSR1 (0.53) MAPTMAPK1NPSR1L3MBTL1EPHX2
SCHEMBL2216450 0.84 CYP2D6 (0.51) NPSR1L3MBTL1TSHRCYP2C9CYP2C19
SCHEMBL16415925 0.82 HIF1A (0.39) MAPK1NPSR1TSHRCYP2C9CYP2C19
SCHEMBL28825961 0.78 TSHR (0.43) MAPTMAPK1NPSR1L3MBTL1EPHX2
SCHEMBL28340273 0.77 NPSR1 (0.50) MAPTMAPK1NPSR1L3MBTL1EPHX2
SCHEMBL435610 0.76 CYP2C9 (0.45) MAPK1EPHX2TSHRCYP2C9CYP2C19
SCHEMBL15015792 0.76 TSHR (0.41) MAPTMAPK1NPSR1L3MBTL1EPHX2
SCHEMBL2422763 0.75 MAPT (0.40) MAPTMAPK1NPSR1L3MBTL1EPHX2
SCHEMBL1032475 0.74 LCK (0.47) MAPTEPHX2TSHRCYP2C9CYP2C19
SCHEMBL13518496 0.74 TSHR (0.44) MAPTMAPK1NPSR1L3MBTL1EPHX2

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
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed