SCHEMBL28178302

SCHEMBL28178302

C=CC[N+](CC=C)(CC=C)CC=C.CCCCCCCCCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
FAAH O00519 5/20 0.39
TSHR P16473 2/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
CA2 P00918 3/20 0.36
ENPP2 Q13822 1/20 0.35
CA1 P00915 2/20 0.34
CES1 P23141 4/20 0.34
CES2 O00748 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
SCHEMBL28178188 1.00 EPHX2 (0.46) EPHX2FAAHTSHRZDHHC20ZDHHC2
SCHEMBL28179187 1.00 EPHX2 (0.46) EPHX2FAAHTSHRZDHHC20ZDHHC2
SCHEMBL28178242 1.00 EPHX2 (0.46) EPHX2FAAHTSHRZDHHC20ZDHHC2
SCHEMBL28178175 1.00 EPHX2 (0.46) EPHX2FAAHTSHRZDHHC20ZDHHC2
SCHEMBL28178186 1.00 EPHX2 (0.46) EPHX2FAAHTSHRZDHHC20ZDHHC2
Fluoride Ion SCHEMBL28178332 0.98 EPHX2 (0.45) EPHX2FAAHTSHRZDHHC20ZDHHC2
Fluoride Ion SCHEMBL28178182 0.98 EPHX2 (0.45) EPHX2FAAHTSHRZDHHC20ZDHHC2
SCHEMBL28178191 0.98 EPHX2 (0.45) EPHX2FAAHTSHRZDHHC20ZDHHC2
Fluoride Ion SCHEMBL28178304 0.98 EPHX2 (0.45) EPHX2FAAHTSHRZDHHC20ZDHHC2
Fluoride Ion SCHEMBL28178233 0.98 EPHX2 (0.45) EPHX2FAAHTSHRZDHHC20ZDHHC2

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-107209146-A electrochemical gas sensor and electrolyte for electrochemical gas sensor 德尔格安全股份两合公司 2017-09-26 CN disclosed