SCHEMBL16592004

SCHEMBL16592004

CCCC(C)(C)OCCC(C)(C)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ACACB O00763 2/20 0.37
PKM P14618 2/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL26696658 0.90 ALDH1A1 (0.40) ALDH1A1ACACBPKMTHRBMEN1
SCHEMBL10035850 0.87 PKM (0.36) ALDH1A1ACACBPKMTHRBMEN1
SCHEMBL22508202 0.84 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10
SCHEMBL25511794 0.84 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10
SCHEMBL22296807 0.82 THRB (0.31) ALDH1A1ACACBPKMTHRBHTT
SCHEMBL22104690 0.82 THRB (0.32) ALDH1A1ACACBPKMTHRBHTT
SCHEMBL24821941 0.81
SCHEMBL21541121 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL13460305 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21415343 0.81 PKM (0.31) PKMHSD17B10

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
WO-2015042447-A1 TARGETED THERAPEUTIC NUCLEOSIDES AND THEIR USE ISIS PHARMACEUTICALS, INC. (US) 2015-03-26 WO disclosed