SCHEMBL9706732

SCHEMBL9706732

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.72
PDE4D Q08499 1/20 0.72
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NLRP3 Q96P20 1/20 0.33
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.30
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
SCHEMBL9706771 0.85 ADRA1A (0.74) ADRA1APDE4DGAASMN1; SMN2
Malotilate SCHEMBL635496 0.84 ADRA1A (1.00) ADRA1APDE4DGAASMN1; SMN2KMT2A
SCHEMBL9675247 0.81 ADRA1A (0.62) ADRA1APDE4DSMN1; SMN2TSHR
SCHEMBL8055886 0.80 ADRA1A (0.82) ADRA1APDE4DGAASMN1; SMN2KMT2A
SCHEMBL9706734 0.78 ADRA1A (0.79) ADRA1APDE4DGAASMN1; SMN2ALDH1A1
SCHEMBL9672860 0.78 ADRA1A (0.62) ADRA1APDE4DGAASMN1; SMN2ALDH1A1
SCHEMBL9706769 0.77 ADRA1A (0.60) ADRA1APDE4DGAASMN1; SMN2ALDH1A1
SCHEMBL9673501 0.77 ADRA1A (0.60) ADRA1APDE4DGAASMN1; SMN2NLRP3
SCHEMBL9675401 0.77 ADRA1A (0.60) ADRA1APDE4DSMN1; SMN2ALDH1A1KMT2A
SCHEMBL9674389 0.77 ADRA1A (0.60) ADRA1APDE4DGAASMN1; SMN2ALDH1A1

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
US-5158950-A Treatment of liver disorders YUHAN CORPORATION, LTD. (KR) 1992-10-27 US disclosed