SCHEMBL20717686

SCHEMBL20717686

CCCCNCCCC(OCC)(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
CYP1A2 P05177 1/20 0.32
S1PR2 O95136 5/20 0.31
S1PR4 O95977 5/20 0.31
S1PR1 P21453 5/20 0.31
S1PR3 Q99500 5/20 0.31
S1PR5 Q9H228 1/20 0.31
LMNA P02545 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
SCHEMBL23178402 0.93 CYP2C19 (0.38) TSHRALDH1A1CYP2C19KMT2AMEN1
SCHEMBL1711205 0.81 TSHR (0.33) TSHRLMNA
SCHEMBL7857533 0.79
SCHEMBL11237533 0.79 TSHR (0.37) TSHRKMT2AMEN1
SCHEMBL28664926 0.77 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL30620386 0.77 TSHR (0.42) TSHRKMT2AMEN1
SCHEMBL30094966 0.77 TSHR (0.42) TSHRKMT2AMEN1
SCHEMBL23579190 0.77 TSHR (0.42) TSHRKMT2AMEN1
SCHEMBL2430576 0.77 TSHR (0.42) TSHRKMT2AMEN1
SCHEMBL28899886 0.77 TSHR (0.42) TSHRKMT2AMEN1

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-2019024429-A1 MOISTURE CURABLE COMPOSITIONS DOW SILICONES CORPORATION (US) 2019-02-07 WO disclosed