SCHEMBL28181791

SCHEMBL28181791

CCC=C(NCCCC)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.44
EPHX1 P07099 5/20 0.44
MMP2 P08253 1/20 0.40
EPHX2 P34913 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL28058398 0.80 TET2 (0.34) MMP2
SCHEMBL17226441 0.74 ACHE (0.52) ACHEEPHX1MMP2EPHX2
SCHEMBL28058495 0.74 ALDH1A1 (0.32)
SCHEMBL29194282 0.74 EPHX1 (0.53) EPHX1ZDHHC20ZDHHC2
SCHEMBL10871499 0.72 KDM4E (0.32)
SCHEMBL22767556 0.71 ACHE (0.39) ACHEEPHX1MMP2EPHX2
Hydroxyl Radical SCHEMBL28094856 0.71 ACHE (0.48) ACHEEPHX1MMP2ZDHHC20ZDHHC2
SCHEMBL11520300 0.71 ACHE (0.48) ACHEEPHX1MMP2ZDHHC20ZDHHC2
SCHEMBL10899308 0.70 ACHE (0.48) ACHEEPHX1
SCHEMBL27999662 0.70 ACHE (0.49) ACHEEPHX1

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-103980846-B Pressure-sensitive-adhesive composition, contact adhesive and pressure sensitive adhesion sheet 琳得科株式会社 2017-11-21 CN disclosed