SCHEMBL9706745

SCHEMBL9706745

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

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.75
PDE4D Q08499 1/20 0.75
ELANE P08246 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9672633 0.92 ADRA1A (0.63) ADRA1APDE4D
Malotilate SCHEMBL635496 0.87 ADRA1A (1.00) ADRA1APDE4DMEN1KMT2A
SCHEMBL9673550 0.82 ADRA1A (0.47) ADRA1APDE4DELANE
SCHEMBL9675143 0.80 ADRA1A (0.44) ADRA1APDE4DELANE
SCHEMBL8055886 0.78 ADRA1A (0.82) ADRA1APDE4DMEN1KMT2A
SCHEMBL10614796 0.78 ADRA1A (0.75) ADRA1APDE4D
SCHEMBL9674608 0.78 ADRA1A (0.69) ADRA1APDE4D
SCHEMBL9706734 0.77 ADRA1A (0.79) ADRA1APDE4D
SCHEMBL8050522 0.76 ADRA1A (0.77) ADRA1APDE4DMEN1KMT2A
Malotilate SCHEMBL5489569 0.75 ADRA1A (0.75) ADRA1APDE4D

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