SCHEMBL5830778

SCHEMBL5830778

CCCCOC1(C)CCCC(C)C1O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 2/20 0.33
NR5A2 O00482 1/20 0.33
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2D6 P10635 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
SCHEMBL5831278 0.73 CA1 (0.34)
SCHEMBL5831504 0.70
SCHEMBL21033707 0.66 CA1 (0.31)
SCHEMBL18617621 0.65 SMN1; SMN2 (0.34)
SCHEMBL5154032 0.64 CA1 (0.40) ALDH1A1
SCHEMBL1382052 0.64 CA1 (0.40) ALDH1A1
SCHEMBL5155621 0.64 CA1 (0.40) ALDH1A1
SCHEMBL13564621 0.63 ALOX5AP (0.33)
SCHEMBL14017964 0.63 MEN1 (0.35) SLC6A4OPRM1MEN1KMT2AALDH1A1
SCHEMBL5831610 0.63 CA1 (0.39) ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132092-B2 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-07 US disclosed
US-20050090688-A1 Metallized mesoporous silicate and method of oxidation with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-28 US disclosed
EP-1473275-A1 METALLIZED MESOPOROUS SILICATE AND METHOD OF OXIDATION WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed