SCHEMBL7201103

SCHEMBL7201103

CCCCCCCCCC1NC(C)(C)CO1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
EPHX1 P07099 1/20 0.41
SPHK1 Q9NYA1 5/20 0.34
SPHK2 Q9NRA0 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
GNAO1 P09471 1/20 0.32
GBA1 P04062 3/20 0.32
CYP1A2 P05177 2/20 0.32
GUSB P08236 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6198171 0.77 ALDH1A1 (0.40) ALDH1A1EPHX1SPHK1SPHK2GBA1
SCHEMBL6194532 0.77 ALDH1A1 (0.40) ALDH1A1EPHX1SPHK1SPHK2GBA1
SCHEMBL6194421 0.77 ALDH1A1 (0.40) ALDH1A1EPHX1SPHK1SPHK2GBA1
SCHEMBL6192081 0.77 ALDH1A1 (0.40) ALDH1A1EPHX1SPHK1SPHK2GBA1
SCHEMBL6193299 0.77 ALDH1A1 (0.40) ALDH1A1EPHX1SPHK1SPHK2GBA1
SCHEMBL6195417 0.77 ALDH1A1 (0.40) ALDH1A1EPHX1SPHK1SPHK2GBA1
SCHEMBL4395556 0.73 ENPP2 (0.35) ALDH1A1
SCHEMBL22236038 0.69 USP2 (0.33) ALDH1A1CYP1A2
SCHEMBL11219791 0.67 ALDH1A1 (0.54) ALDH1A1EPHX1SPHK1SPHK2GBA1
SCHEMBL20732767 0.67 ALDH1A1 (0.54) ALDH1A1EPHX1SPHK1SPHK2GBA1

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-2003039523-A2 OLIGONUCLEOTIDES MODIFIED WITH NOVEL α-L-RNA ANALOGUES EXIQON A/S (DK) 2003-05-15 WO disclosed