SCHEMBL9706769

SCHEMBL9706769

CC(C)OC(=O)C(C(=O)Nc1ccc(O)cc1)=C1SC=CS1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.60
PDE4D Q08499 1/20 0.60
GAA P10253 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 6/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
BRD4 O60885 1/20 0.39
NR1I2 O75469 1/20 0.39
MB P02144 1/20 0.39
CYP1A1 P04798 1/20 0.39
CA3 P07451 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9673951 0.91 ADRA1A (0.50) ADRA1APDE4DGAASMN1; SMN2ALDH1A1
SCHEMBL9675401 0.89 ADRA1A (0.60) ADRA1APDE4DSMN1; SMN2ALDH1A1MAPT
SCHEMBL9674389 0.89 ADRA1A (0.60) ADRA1APDE4DGAASMN1; SMN2ALDH1A1
SCHEMBL9674557 0.88 ADRA1A (0.59) ADRA1APDE4DGAASMN1; SMN2ALDH1A1
SCHEMBL9672872 0.88 ADRA1A (0.59) ADRA1APDE4DSMN1; SMN2ALDH1A1MAPT
SCHEMBL9672860 0.88 ADRA1A (0.62) ADRA1APDE4DGAASMN1; SMN2ALDH1A1
SCHEMBL9674811 0.87 ADRA1A (0.49) ADRA1APDE4DGAASMN1; SMN2ALDH1A1
SCHEMBL9675950 0.87 ADRA1A (0.57) ADRA1APDE4DGAASMN1; SMN2ALDH1A1
SCHEMBL9674516 0.86 ADRA1A (0.56) ADRA1APDE4DGAASMN1; SMN2ALDH1A1
SCHEMBL9521395 0.85 ADRA1A (0.41) 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 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