SCHEMBL29142808

SCHEMBL29142808

CCCCC=CNCCCN

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.39
DNM1 Q05193 8/20 0.37
TSHR P16473 2/20 0.37
EPHX1 P07099 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH7 P40394 2/20 0.37
ADH4 P08319 1/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL9140349 0.92 SLC6A5 (0.47) SLC6A5DNM1TSHREPHX1MEN1
SCHEMBL11137860 0.92 SLC6A5 (0.47) SLC6A5DNM1TSHREPHX1MEN1
SCHEMBL9148034 0.92 SLC6A5 (0.47) SLC6A5DNM1TSHREPHX1MEN1
SCHEMBL22260993 0.92 SLC6A5 (0.47) SLC6A5DNM1TSHREPHX1MEN1
SCHEMBL2808938 0.92 SLC6A5 (0.47) SLC6A5DNM1TSHREPHX1MEN1
SCHEMBL8436921 0.92 SLC6A5 (0.47) SLC6A5DNM1TSHREPHX1MEN1
SCHEMBL16512176 0.89 DNM1 (0.33) SLC6A5DNM1TSHREPHX1MEN1
SCHEMBL1548779 0.89 TSHR (0.37) SLC6A5DNM1TSHREPHX1MEN1
SCHEMBL1548778 0.89 TSHR (0.37) SLC6A5DNM1TSHREPHX1MEN1
SCHEMBL1485856 0.87 ADH1B (0.48) TSHREPHX1ALDH1A1ADH1BADH1C

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-117412740-A Nanotechnology platform for providing water-oil-water multiwall functionalized nanocapsules based on polyurethane/polyurea chemistry and preparation method thereof 伊科波尔科技有限公司 2024-01-16 CN disclosed