SCHEMBL28264229

SCHEMBL28264229

CCCCCCCCCCOCC=C(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.51
CES2 O00748 2/20 0.50
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.42
CES1 P23141 1/20 0.41
GBA1 P04062 1/20 0.41
PLA2G2C Q5R387 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL29048956 1.00 LSS (0.51) LSSCES2HTTMEN1THRB
SCHEMBL9396040 1.00 LSS (0.51) LSSCES2HTTMEN1THRB
SCHEMBL1150489 0.98 LSS (0.49) LSSCES2HTTMEN1THRB
Pentane SCHEMBL28776059 0.96 LSS (0.47) LSSCES2HTTMEN1THRB
SCHEMBL9398059 0.91 TSHR (0.46) LSSCES2HTTMEN1THRB
SCHEMBL29776230 0.91 LSS (0.41) LSSCES2HTTMEN1THRB
Vinyl Chloride SCHEMBL28776026 0.88 LSS (0.43) LSSCES2HTTMEN1THRB
SCHEMBL3960543 0.84 LSS (0.69) LSSMEN1KMT2AMAPTGBA1
SCHEMBL29084357 0.84 LSS (0.69) LSSMEN1KMT2AMAPTGBA1
SCHEMBL28278131 0.84 LSS (0.69) LSSMEN1KMT2AMAPTGBA1

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
CN-108997929-A Organosilicon emulsion composition and mixture 信越化学工业株式会社 2018-12-14 CN disclosed