SCHEMBL9706734

SCHEMBL9706734

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

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.79
PDE4D Q08499 1/20 0.79
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
CA14 Q9ULX7 3/20 0.31
PARP10 Q53GL7 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
Malotilate SCHEMBL635496 0.89 ADRA1A (1.00) ADRA1APDE4DGAASMN1; SMN2TSHR
SCHEMBL8055886 0.84 ADRA1A (0.82) ADRA1APDE4DGAASMN1; SMN2TSHR
SCHEMBL9706771 0.79 ADRA1A (0.74) ADRA1APDE4DGAASMN1; SMN2CA12
SCHEMBL9523192 0.79 ADRA1A (0.49) ADRA1APDE4DSMN1; SMN2TSHRALDH1A1
SCHEMBL8050522 0.78 ADRA1A (0.77) ADRA1APDE4DGAASMN1; SMN2TSHR
SCHEMBL9706732 0.78 ADRA1A (0.72) ADRA1APDE4DGAASMN1; SMN2TSHR
Malotilate SCHEMBL5489569 0.77 ADRA1A (0.75) ADRA1APDE4D
SCHEMBL10614796 0.77 ADRA1A (0.75) ADRA1APDE4D
SCHEMBL9706745 0.77 ADRA1A (0.75) ADRA1APDE4D
SCHEMBL9706767 0.76 ADRA1A (0.68) ADRA1APDE4DALDH1A1

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 2 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-A1 1,3-Dithiol-2-ylidene derivatives YUHAN CORPORATION, LTD. (KR) 1989-01-04 EP disclosed