SCHEMBL9249063

SCHEMBL9249063

C=CCOC(=O)C1CCCCC(C2CCCCCC2)C1C(=O)OCC=C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6354325 0.86 ALDH1A1 (0.38) ALDH1A1GAATP53CYP3A4POLB
SCHEMBL1326038 0.82 TSHR (0.38) ALDH1A1GAATP53CYP3A4POLB
SCHEMBL987648 0.81 CYP3A4 (0.48) ALDH1A1GAATP53CYP3A4POLB
SCHEMBL423861 0.79 TSHR (0.38) ALDH1A1GAATP53CYP3A4POLB
SCHEMBL14763331 0.76 TSHR (0.36) ALDH1A1GAATP53CYP3A4POLB
SCHEMBL12440412 0.76 TSHR (0.34) ALDH1A1GAATP53CYP3A4POLB
SCHEMBL1326039 0.75 PEPD (0.36) ALDH1A1GAATP53CYP3A4POLB
SCHEMBL1220674 0.74 TP53 (0.43) ALDH1A1GAATP53CYP3A4POLB
SCHEMBL29108682 0.73 ALDH1A1 (0.42) ALDH1A1GAATP53CYP3A4POLB
SCHEMBL9769692 0.73 CYP3A4 (0.42) ALDH1A1GAATP53CYP3A4POLB

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
US-5380809-A Composition for optical material SHOWA DENKO K.K. (JP) 1995-01-10 US claimed