SCHEMBL17716670

SCHEMBL17716670

CCCOCCC[Si](C)(C)O[Si](C)(C)CCCOCCO

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.38
USP2 O75604 2/20 0.32
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
ACHE P22303 1/20 0.31
SPHK2 Q9NRA0 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
SCHEMBL15297869 0.93 TSHR (0.50) TSHRMEN1KMT2ATHRBHTT
SCHEMBL18961414 0.93 TSHR (0.50) TSHRMEN1KMT2ATHRBHTT
SCHEMBL47736 0.92 TSHR (0.59) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2406752 0.92 TSHR (0.50) TSHRMEN1KMT2ATHRBHTT
SCHEMBL15293381 0.91 TSHR (0.57) TSHRMEN1KMT2ATHRBHTT
SCHEMBL1615256 0.90 TSHR (0.36) TSHRMEN1KMT2ATHRBHTT
SCHEMBL10331158 0.87 TSHR (0.57) TSHRMEN1KMT2ATHRBHTT
SCHEMBL804728 0.86 TSHR (0.38) TSHRMEN1KMT2ATHRBHTT
SCHEMBL18858129 0.85 MEN1 (0.43) TSHRMEN1KMT2ATHRBHTT
SCHEMBL10030114 0.85 TSHR (0.55) TSHRMEN1KMT2ATHRBHTT

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-20160121101-A1 Medical leads MEDTRONIC, INC. 2016-05-05 US disclosed