SCHEMBL28026416

SCHEMBL28026416

C=C(C(=O)OCC)S(=O)(=O)OC.[NaH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THRB P10828 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TRPA1 O75762 1/20 0.31
CASP1 P29466 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
SCHEMBL27592399 0.98 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL5708086 0.82 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL1174173 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL990746 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL10885891 0.76 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL28372680 0.75 ALDH1A1 (0.45) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL22832322 0.73 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL11867228 0.72 ALDH1A1 (0.43) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL29096077 0.72 ALDH1A1 (0.42) ALDH1A1TSHRMAPTNPSR1GLO1
SCHEMBL27870883 0.72 ALDH1A1 (0.38) ALDH1A1TSHR

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
CN-102272225-B Composite conductive polymer composition, method for producing same, solution containing the composition, and use of the composition SOKEN KAGAKU KK 2015-07-08 CN disclosed