SCHEMBL8536736

SCHEMBL8536736

C=C(C)COCCOCCOCCOCCO

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
THRB P10828 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33

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
SCHEMBL18843006 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8076735 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8072378 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1326296 0.95
Di(Hydroxyethyl)Ether SCHEMBL631146 0.92 TSHR (0.53) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL347964 0.89 MEN1 (0.35) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL29488236 0.89 MEN1 (0.35) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL631462 0.87 HSD17B10 (0.37) MEN1KMT2ATSHRTHRBALDH1A1
Di(Hydroxyethyl)Ether SCHEMBL7267509 0.86 MEN1 (0.41) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10031351 0.86 MEN1 (0.40) MEN1KMT2ATSHRMAPK1THRB

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-5786493-A SILYNATION OF UNSATURATED ALCOHOL, CYCLIZATION AND SOLVOLYSIS HUELS AKTIENGESELLSCHAFT (DE) 1998-07-28 US disclosed