SCHEMBL9674608

SCHEMBL9674608

CCOC(=O)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.69
PDE4D Q08499 1/20 0.69
SOAT1 P35610 1/20 0.39
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL8050522 0.88 ADRA1A (0.77) ADRA1APDE4DALDH1A1TSHR
SCHEMBL9673177 0.86 ADRA1A (0.46) ADRA1APDE4DSOAT1ALDH1A1
SCHEMBL9674811 0.84 ADRA1A (0.49) ADRA1APDE4DALDH1A1TSHR
SCHEMBL9672783 0.84 ADRA1A (0.44) ADRA1APDE4DSOAT1ALDH1A1
Malotilate SCHEMBL635496 0.83 ADRA1A (1.00) ADRA1APDE4DTSHR
SCHEMBL9673295 0.82 SOAT1 (0.44) ADRA1APDE4DSOAT1ALDH1A1TSHR
SCHEMBL9673209 0.81 ADRA1A (0.45) ADRA1APDE4DALDH1A1TSHR
SCHEMBL9706745 0.78 ADRA1A (0.75) ADRA1APDE4D
SCHEMBL9672633 0.77 ADRA1A (0.63) ADRA1APDE4D
SCHEMBL9621031 0.76 ADRA1A (0.55) ADRA1APDE4DALDH1A1TSHR

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