SCHEMBL30716883

SCHEMBL30716883

C=CC(=O)NCCC[N+](C)(C)C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TGM2 P21980 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
Trifluoromethanesulfonic Acid SCHEMBL16109456 0.87 ZDHHC20 (0.49) ZDHHC20ZDHHC2KMT2AATMGAA
Trifluoromethanesulfonic Acid SCHEMBL16109455 0.86 ZDHHC20 (0.44) ZDHHC20ZDHHC2KMT2AATMGAA
Chloromethane SCHEMBL27393558 0.82 ZDHHC20 (0.55) ZDHHC20ZDHHC2KMT2AATMGAA
SCHEMBL192702 0.82 ZDHHC20 (0.58) ZDHHC20ZDHHC2KMT2AATMGAA
Sulfuric Acid SCHEMBL1953518 0.81 ZDHHC20 (0.50) ZDHHC20ZDHHC2KMT2AATMGAA
SCHEMBL30582981 0.81 TGM2 (0.42) KMT2AATMGAAALDH1A1MAPK1
Iodide SCHEMBL17105877 0.81 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMGAA
Bromide SCHEMBL475865 0.81 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMGAA
Fluoride Ion SCHEMBL17105892 0.81 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMGAA
Water SCHEMBL2355003 0.81 ZDHHC20 (0.56) ZDHHC20ZDHHC2KMT2AATMGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118496430-A Photo-curing 3D printing resin of self-healing ionic gel in water environment, and preparation method and application thereof 南方科技大学 2024-08-16 CN claimed
CN-118496430-A Photo-curing 3D printing resin of self-healing ionic gel in water environment, and preparation method and application thereof 南方科技大学 2024-08-16 CN disclosed
WO-2024106095-A1 ADHESIVE SHEET, OPTICAL MULTILAYER BODY AND IMAGE DISPLAY DEVICE 日東電工株式会社 2024-05-23 WO disclosed
CN-117355586-A Adhesive composition, adhesive layer, and adhesive sheet 日东电工株式会社 2024-01-05 CN disclosed