SCHEMBL9523261

SCHEMBL9523261

CCNC(=O)C(C(=O)OC(C)C)=C1SCS1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.42
PDE4D Q08499 1/20 0.42
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9521064 0.82 ADRA1A (0.60) ADRA1APDE4DGAASMN1; SMN2
SCHEMBL8752214 0.80 KMT2A (0.48) ADRA1APDE4DGAASMN1; SMN2
SCHEMBL9521372 0.77 ADRA1A (0.50) ADRA1APDE4DGAASMN1; SMN2
Alcohol SCHEMBL10441619 0.76 ADRA1A (0.42) ADRA1APDE4D
SCHEMBL9523192 0.76 ADRA1A (0.49) ADRA1APDE4DSMN1; SMN2
SCHEMBL9521170 0.74 SMN1; SMN2 (0.50) ADRA1APDE4DGAASMN1; SMN2
SCHEMBL9520365 0.74 ADRA1A (0.41) ADRA1APDE4D
SCHEMBL9521395 0.73 ADRA1A (0.41) ADRA1APDE4DGAASMN1; SMN2
SCHEMBL9521689 0.72 POLB (0.45) ADRA1APDE4DSMN1; SMN2
SCHEMBL9524421 0.72 ADRA1A (0.41) 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