SCHEMBL1645786

SCHEMBL1645786

CCC(C)OC(=O)C(C(=O)O)C(=O)C1CCCC1.O=C(O)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 2/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL942073 0.96 LMNA (0.35) LMNAMAPTHPGDCTSKALDH1A1
SCHEMBL3645141 0.90 MAPT (0.35) LMNAMAPTHPGDCTSKALDH1A1
SCHEMBL4481936 0.81 TP53 (0.42) MAPT
SCHEMBL1645785 0.75 ALDH1A1 (0.41) HPGDALDH1A1
SCHEMBL334542 0.74 TSHR (0.39) LMNAMAPTCTSKALDH1A1
SCHEMBL9284085 0.72 PLG (0.38) LMNAMAPT
SCHEMBL2988848 0.71 LMNA (0.41) LMNAHPGDCTSKALDH1A1
SCHEMBL7843971 0.71 LMNA (0.41) LMNAHPGDCTSKALDH1A1
SCHEMBL2986132 0.71 LMNA (0.41) LMNAHPGDCTSKALDH1A1
SCHEMBL28483461 0.70 ANPEP (0.38) LMNAHPGD

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-2303329-A1 ANTIFUNGAL COMBINATION THERAPY F2G Limited (GB) 2011-04-06 EP disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed