SCHEMBL7722290

SCHEMBL7722290

C=C(C)CNCCC[N+](C)(C)CCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.32
EPHX2 P34913 1/20 0.31

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
Water SCHEMBL170463 0.98 BBOX1 (0.31) BBOX1EPHX2
Betaine SCHEMBL514681 0.89 TSHR (0.35)
SCHEMBL173751 0.86 BBOX1 (0.49) BBOX1EPHX2
SCHEMBL21048548 0.85 APP (0.37) EPHX2
Betaine SCHEMBL3946024 0.84 TSHR (0.35)
SCHEMBL17817469 0.78 HTT (0.45) EPHX2
SCHEMBL11319952 0.77 CYP2C19 (0.36) EPHX2
SCHEMBL918271 0.77 BBOX1 (0.46) BBOX1
SCHEMBL245098 0.77 EPHX2 (0.35) BBOX1EPHX2
SCHEMBL21024442 0.77 CBLB (0.42) BBOX1EPHX2

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
WO-2002088839-A2 METHOD OF TRANSFERRING MOLECULES TO A COATED FILM LAMINATE HAVING AN IONIC SURFACE 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-11-07 WO disclosed