SCHEMBL4409850

SCHEMBL4409850

c1c[se]c(NC2C3CC4CC(C3)CC2C4)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 2/20 0.34
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
USP2 O75604 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL1332997 0.69 ALDH1A1 (1.00) ALDH1A1HTTHSD17B10SMN1; SMN2EPHX2
SCHEMBL30002855 0.64 ALDH1A1 (0.62) ALDH1A1HTTHSD17B10SMN1; SMN2EPHX2
SCHEMBL3709518 0.64 HTT (0.53) ALDH1A1HTTHSD17B10SMN1; SMN2EPHX2
SCHEMBL5672302 0.59 EPHX2 (0.56) ALDH1A1HTTHSD17B10EPHX2USP2
SCHEMBL5810367 0.59 ALDH1A1 (0.46) ALDH1A1HTTHSD17B10SMN1; SMN2EPHX2
SCHEMBL13310284 0.58 ALDH1A1 (0.42) ALDH1A1HTTHSD17B10EPHX2USP2
SCHEMBL22807310 0.58 ADRA2A (0.51) ALDH1A1HTTHSD17B10EPHX2USP2
SCHEMBL2086933 0.57 BRD4 (0.52) ALDH1A1HTTHSD17B10EPHX2
SCHEMBL737152 0.57 ALDH1A1 (0.44) ALDH1A1HTTHSD17B10SMN1; SMN2EPHX2
SCHEMBL1072726 0.56 EPHX2 (0.50) ALDH1A1HTTHSD17B10EPHX2HSD11B1

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-7635491-B2 Method for administering selenium for treating patients suffering from systemic inflammatory response syndrome (SIRS), and composition for implementing the treatment Forceville, Xavier (FR) 2009-12-22 US disclosed