SCHEMBL2329949

SCHEMBL2329949

C=CCOC(=O)OC1CCC1OC(=O)OCC=C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KCNA3 P22001 1/20 0.34
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
NR2C2 P49116 1/20 0.30
TAB1 Q15750 1/20 0.30
EPHX2 P34913 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL2326669 0.90 ALDH1A1 (0.44) ALDH1A1GAACYP3A4TSHRMAPT
SCHEMBL7594654 0.86 ALDH1A1 (0.35) ALDH1A1GAACYP3A4TSHRMAPT
SCHEMBL5599867 0.83 KCNA3 (0.42) ALDH1A1GAACYP3A4TSHRMAPT
SCHEMBL19888000 0.80 BCHE (0.41) ALDH1A1GAACYP3A4
SCHEMBL18357139 0.80 BCHE (0.41) ALDH1A1GAACYP3A4
SCHEMBL11180560 0.80 NR2C2 (0.38) ALDH1A1GAACYP3A4TSHRMAPT
SCHEMBL18357115 0.80 BCHE (0.41) ALDH1A1GAACYP3A4
SCHEMBL18357173 0.80 BCHE (0.41) ALDH1A1GAACYP3A4
SCHEMBL11590287 0.79 ALDH1A1 (0.44) ALDH1A1GAACYP3A4TSHRMAPT
SCHEMBL10448619 0.79 ALDH1A1 (0.44) ALDH1A1GAACYP3A4TSHRMAPT

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-2011095626-A2 OPTICAL ARTICLE COMPRISING AN ANTI-REFLECTING COATING HAVING ANTI-FOGGING PROPERTIES ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2011-08-11 WO disclosed