SCHEMBL19697948

SCHEMBL19697948

CCCCCCCCCCCCCOCCOCCOCCOCCOCCO[Si](C)(CCCS)CCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CES2 O00748 2/20 0.33
USP2 O75604 1/20 0.32
CES1 P23141 1/20 0.31
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL12269525 0.90 MEN1 (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL16843042 0.85 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL820390 0.85 HTT (0.44) HTTMEN1THRBKMT2AMAPT
SCHEMBL10021094 0.81 MEN1 (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL15305874 0.81 MEN1 (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL15305875 0.80 TSHR (0.32) THRBTSHR
SCHEMBL28932843 0.79 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL10021095 0.79 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL16263904 0.79 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL10992527 0.75 THRB (0.56) 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
US-20170355830-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE COMPRISING TREAD FORMED FROM SAID RUBBER COMPOSITION SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-12-14 US disclosed