SCHEMBL13725484

SCHEMBL13725484

CC[CH]CCOCCCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 2/20 0.47
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
CES1 P23141 1/20 0.38
PLA2G2C Q5R387 1/20 0.37

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
SCHEMBL13725566 1.00 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL4117544 1.00 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL3022890 0.91 MEN1 (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL9294560 0.91 MEN1 (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL9295206 0.91 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL16685006 0.91 TSHR (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL9470760 0.86 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL28203082 0.86 MEN1 (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL28106829 0.86 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL9469818 0.86 HTT (0.50) HTTMEN1THRBKMT2AMAPT

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-2012150866-A1 PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF INDUSTRIAL RESEARCH LIMITED (NZ) 2012-11-08 WO disclosed