SCHEMBL9706771

SCHEMBL9706771

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

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.74
PDE4D Q08499 1/20 0.74
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 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 0.86 ADRA1A (1.00) ADRA1APDE4DGAASMN1; SMN2CA12
SCHEMBL9706732 0.85 ADRA1A (0.72) ADRA1APDE4DGAASMN1; SMN2
SCHEMBL8055886 0.81 ADRA1A (0.82) ADRA1APDE4DGAASMN1; SMN2CA12
SCHEMBL9706734 0.79 ADRA1A (0.79) ADRA1APDE4DGAASMN1; SMN2CA12
SCHEMBL9675247 0.79 ADRA1A (0.62) ADRA1APDE4DSMN1; SMN2
SCHEMBL9672860 0.79 ADRA1A (0.62) ADRA1APDE4DGAASMN1; SMN2
SCHEMBL9706769 0.78 ADRA1A (0.60) ADRA1APDE4DGAASMN1; SMN2CA12
SCHEMBL9675401 0.78 ADRA1A (0.60) ADRA1APDE4DSMN1; SMN2KDM4E
SCHEMBL9674389 0.78 ADRA1A (0.60) ADRA1APDE4DGAASMN1; SMN2CA12
SCHEMBL9673501 0.78 ADRA1A (0.60) ADRA1APDE4DGAASMN1; SMN2KDM4E

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