SCHEMBL18270969

SCHEMBL18270969

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 3/20 0.37
APP P05067 1/20 0.35
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL13978757 0.92 BBOX1 (0.37) BBOX1APPEPHX2
SCHEMBL918271 0.85 BBOX1 (0.46) BBOX1APP
SCHEMBL173771 0.83 BBOX1 (0.36) BBOX1APPEPHX2
SCHEMBL18270968 0.83 BBOX1 (0.36) BBOX1APPEPHX2
SCHEMBL21024442 0.81 CBLB (0.42) BBOX1APPEPHX1EPHX2
SCHEMBL22006989 0.81 BBOX1 (0.43) BBOX1APP
SCHEMBL918699 0.81
SCHEMBL6115755 0.81 APP (0.46) APPEPHX1EPHX2
SCHEMBL12210469 0.80 KDM4E (0.50) BBOX1EPHX2
SCHEMBL19170095 0.80 BBOX1 (0.34) BBOX1APP

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-2016187698-A1 ANTIFOULING POLYMERIC COATING COMPOSITIONS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-12-01 WO disclosed