SCHEMBL9706767

SCHEMBL9706767

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

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.68
PDE4D Q08499 1/20 0.68
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 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 0.82 ADRA1A (1.00) ADRA1APDE4DHPGDMEN1KMT2A
SCHEMBL8050522 0.78 ADRA1A (0.77) ADRA1APDE4DALDH1A1MEN1KMT2A
SCHEMBL8055886 0.77 ADRA1A (0.82) ADRA1APDE4DMEN1KMT2A
SCHEMBL9672633 0.76 ADRA1A (0.63) ADRA1APDE4D
SCHEMBL9706734 0.76 ADRA1A (0.79) ADRA1APDE4DALDH1A1
SCHEMBL9706755 0.74 ADRA1A (0.60) ADRA1APDE4DMEN1KMT2A
SCHEMBL9674608 0.74 ADRA1A (0.69) ADRA1APDE4DALDH1A1
SCHEMBL9706771 0.73 ADRA1A (0.74) ADRA1APDE4D
SCHEMBL9675124 0.72 ADRA1A (0.68) ADRA1APDE4DTP53
SCHEMBL9706732 0.72 ADRA1A (0.72) ADRA1APDE4DALDH1A1KMT2A

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