SCHEMBL5297045

SCHEMBL5297045

CCCCCCCC[n+]1cc[nH]c1CCCCCCCCCCCCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSP90AA1 P07900 2/20 0.33
RAD52 P43351 2/20 0.33
RGS12 O14924 1/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 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
SCHEMBL5303851 1.00 HTT (0.33) HTTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL5286087 1.00 HTT (0.33) HTTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL5291359 1.00 HTT (0.33) HTTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL5295611 1.00 HTT (0.33) HTTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL5290100 1.00 HTT (0.33) HTTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL5303293 1.00 HTT (0.33) HTTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL5306270 1.00 HTT (0.33) HTTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL5295789 1.00 HTT (0.33) HTTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL4237957 1.00 HTT (0.33) HTTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL5292450 1.00 HTT (0.33) HTTKMT2ALMNASMN1; SMN2MEN1

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-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed