SCHEMBL9675124

SCHEMBL9675124

CCC(C)OC(=O)C(C(=O)OC(C)CC)=C1SC=CS1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.68
PDE4D Q08499 1/20 0.68
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL9621035 0.92 ADRA1A (0.57) ADRA1APDE4DMAPTTP53
Malotilate SCHEMBL635496 0.81 ADRA1A (1.00) ADRA1APDE4D
SCHEMBL9524421 0.79 ADRA1A (0.41) ADRA1APDE4DMAPT
SCHEMBL8050522 0.78 ADRA1A (0.77) ADRA1APDE4DMAPT
SCHEMBL10993593 0.77 ADRA1A (0.40) ADRA1APDE4DMAPT
SCHEMBL10456507 0.73 MAPT (0.38) MAPTTP53
SCHEMBL9621031 0.73 ADRA1A (0.55) ADRA1APDE4DMAPT
SCHEMBL11699365 0.73 ADRA1A (0.59) ADRA1APDE4DMAPTL3MBTL1
SCHEMBL8055886 0.73 ADRA1A (0.82) ADRA1APDE4D
SCHEMBL9706767 0.72 ADRA1A (0.68) ADRA1APDE4DTP53

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-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed
EP-0298040-B1 1,3-DITHIOL-2-YLIDENE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1992-08-26 EP disclosed
EP-0298040-A1 1,3-Dithiol-2-ylidene derivatives YUHAN CORPORATION, LTD. (KR) 1989-01-04 EP disclosed