SCHEMBL9520374

SCHEMBL9520374

CC(C)OC(=O)C(C(=O)C(=O)O)=C1SCS1.CC1OC1=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.39
PDE4D Q08499 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
SCHEMBL9521567 0.92 ADRA1A (0.39) ADRA1APDE4D
SCHEMBL9521474 0.87
Alcohol SCHEMBL10441619 0.83 ADRA1A (0.42) ADRA1APDE4D
SCHEMBL9520609 0.82
SCHEMBL9521372 0.79 ADRA1A (0.50) ADRA1APDE4D
SCHEMBL9521064 0.77 ADRA1A (0.60) ADRA1APDE4D
SCHEMBL9523192 0.71 ADRA1A (0.49) ADRA1APDE4D
SCHEMBL9521449 0.70 ADRA1A (0.50) ADRA1APDE4D
SCHEMBL9520365 0.69 ADRA1A (0.41) ADRA1APDE4D
Isoprothiolane SCHEMBL71267 0.67 ADRA1A (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366614-B1 PHARMACEUTICALLY ACTIVE DITHIOKETENE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1993-09-01 EP disclosed
US-5103013-A For treating liver disorders YUHAN CORPORATION, LTD. (KR) 1992-04-07 US disclosed
EP-0366614-A2 Pharmaceutically active dithioketene derivatives YUHAN CORPORATION, LTD. (KR) 1990-05-02 EP disclosed