SCHEMBL18156578

SCHEMBL18156578

C=C(C)C(=O)NCCCN(C)CC(=O)NCCC[N+](C)(C)CC(O)CN(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
CBLB Q13191 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
SCHEMBL15338682 0.91 KDM4E (0.31) KDM4E
SCHEMBL16229823 0.89 CBLB (0.33) KDM4ECBLB
Hydrochloric Acid SCHEMBL18037662 0.87 CBLB (0.30) CBLB
SCHEMBL15834838 0.78 MMP9 (0.31)
SCHEMBL12985168 0.76 SLC22A16 (0.36) CBLB
SCHEMBL10337176 0.75 TGFBR1 (0.35) CBLB
Hydrochloric Acid SCHEMBL4369333 0.75 MAPT (0.35) CBLB
SCHEMBL1755130 0.75 SLC22A16 (0.31) CBLB
SCHEMBL15291392 0.74 CBLB (0.31) CBLB
SCHEMBL13845448 0.74 KDM4E (0.45) KDM4ECBLB

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-2822976-B1 CONTROLLED RADICAL POLYMERISATION IN WATER-IN-WATER DISPERSION RHODIA OPERATIONS (FR) 2016-10-19 EP disclosed