SCHEMBL28762869

SCHEMBL28762869

CCCN(C=C(C)C(=O)OCCCO)CCC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.34
ACHE P22303 7/20 0.34
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 2/20 0.31
NAAA Q02083 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
SCHEMBL8087663 0.86 HCAR2 (0.36) TSHRALDH1A1ATMHCAR2
SCHEMBL8081440 0.81 GLO1 (0.42) TSHRALDH1A1
SCHEMBL28283109 0.81 TSHR (0.53) TSHRALDH1A1ATMACHEHCAR2
SCHEMBL8515691 0.80 TSHR (0.40) TSHRALDH1A1ATMHPGDHCAR2
SCHEMBL27352569 0.80 CYP2C9 (0.35) TSHRALDH1A1ATMACHE
SCHEMBL15664746 0.78 ALDH1A1 (0.48) TSHRALDH1A1ATMHPGDHCAR2
SCHEMBL27559026 0.77 TSHR (0.51) TSHRALDH1A1ATMACHEHPGD
SCHEMBL28318803 0.75 TSHR (0.36) TSHRALDH1A1ATMACHEHPGD
SCHEMBL10951225 0.75 TSHR (0.54) TSHRALDH1A1ATMACHEHCAR2
SCHEMBL27727631 0.75 TSHR (0.54) TSHRALDH1A1ATMACHEHCAR2

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-114672276-A UV photo-induced strippable adhesive and preparation method thereof 河北科技大学 2022-06-28 CN disclosed