SCHEMBL23794899

SCHEMBL23794899

C=CC(=O)C(C)[N+](CCCC)(CCCC)CCCS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ENPP2 Q13822 3/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
TP53 P04637 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
SCHEMBL23794904 0.79 ENPP2 (0.33) EPHX2ENPP2TP53
SCHEMBL23794900 0.72 EPHX2 (0.38) EPHX2ZDHHC20ZDHHC2ENPP2HPGD
Acrylic Acid SCHEMBL14246608 0.70 EPHX2 (0.44) EPHX2ZDHHC20ZDHHC2HPGDTSHR
SCHEMBL15965937 0.69 SLC22A1 (0.55) EPHX2ENPP2TSHRTP53
Acrylamide SCHEMBL2099416 0.69 TSHR (0.44) EPHX2ZDHHC20ZDHHC2HPGDTSHR
SCHEMBL7616780 0.68 S1PR2 (0.37) EPHX2TSHRTP53
SCHEMBL15382997 0.68 DNM1 (0.50) EPHX2ENPP2
Propene SCHEMBL27929523 0.67 EPHX2 (0.43) EPHX2ZDHHC20ZDHHC2HPGDTSHR
Acrylamide SCHEMBL29113062 0.67 TSHR (0.42) EPHX2ZDHHC20ZDHHC2HPGDTSHR
Acrylamide SCHEMBL2099370 0.67 EPHX2 (0.49) EPHX2ZDHHC20ZDHHC2HPGDTSHR

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
EP-3877787-A1 CONTACT LENS WITH A SURFACE COATING, AND MANUFACTURING METHOD Fachhochschule Kiel (DE) 2021-09-15 EP disclosed