SCHEMBL6533529

SCHEMBL6533529

C=C[n+]1ccccc1CCCCC

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.49
THRB P10828 6/20 0.36
THRA P10827 5/20 0.36
LIPG Q9Y5X9 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
HTT P42858 1/20 0.33

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
Iodide SCHEMBL11381499 0.93 KCNH2 (0.41) KCNH2THRBTHRAMEN1KMT2A
Bromide SCHEMBL6834383 0.93 KCNH2 (0.41) KCNH2THRBTHRAKMT2AHTT
Iodide SCHEMBL11395802 0.86 HDAC8 (0.33) KCNH2
Hydrochloric Acid SCHEMBL11436659 0.80 KCNH2 (0.50) KCNH2LIPGMEN1KMT2AGPR84
Hydrochloric Acid SCHEMBL11442310 0.80 KCNH2 (0.50) KCNH2LIPGMEN1KMT2AGPR84
Hydrochloric Acid SCHEMBL29098366 0.78 HDAC8 (0.35)
Iodide SCHEMBL11385773 0.78 HDAC8 (0.35)
Bromide SCHEMBL9853476 0.78 HDAC8 (0.35)
Bromide SCHEMBL11666932 0.74 KCNH2 (0.47) KCNH2THRBTHRALIPGMEN1
SCHEMBL4928593 0.73 KCNH2 (0.53) KCNH2LIPGHTT

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-2005091755-A2 HYDROPHOBIC FLUORINATED POLYELECTROLYTE COMPLEX FILMS AND ASSOCIATED METHODS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2005-10-06 WO disclosed