SCHEMBL6601620

SCHEMBL6601620

CC(SCc1ccc(CSC(C)C2SCC(CO)S2)cc1)C1SCC(CO)S1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
EPHX1 P07099 4/20 0.32

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
SCHEMBL6604085 0.85 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL5210206 0.81
SCHEMBL5209791 0.78 SMN1; SMN2 (0.33) SMN1; SMN2EPHX1
SCHEMBL5205464 0.77 SMN1; SMN2 (0.33) SMN1; SMN2EPHX1
SCHEMBL5206029 0.77 ALDH1A1 (0.35) SMN1; SMN2EPHX1
SCHEMBL5209682 0.73 SLC6A4 (0.31)
SCHEMBL5209428 0.71
SCHEMBL5210722 0.71
SCHEMBL5210106 0.71
SCHEMBL5207137 0.70

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
EP-1388540-A1 ACRYLIC ESTERS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2004-02-11 EP disclosed