SCHEMBL9673295

SCHEMBL9673295

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.44
ADRA1A P35348 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALOX15 P16050 1/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 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
SCHEMBL9673177 0.89 ADRA1A (0.46) SOAT1ADRA1APDE4DALDH1A1KMT2A
SCHEMBL8531170 0.86 ADRA1A (0.46) ADRA1APDE4DALDH1A1KMT2AMEN1
SCHEMBL9672783 0.86 ADRA1A (0.44) SOAT1ADRA1APDE4DALDH1A1KMT2A
SCHEMBL9674608 0.82 ADRA1A (0.69) SOAT1ADRA1APDE4DALDH1A1TSHR
SCHEMBL9621031 0.77 ADRA1A (0.55) ADRA1APDE4DALDH1A1KMT2AMEN1
SCHEMBL8385459 0.73 ADRA1A (0.50) ADRA1APDE4DALDH1A1MAPTKDM4E
SCHEMBL9621035 0.71 ADRA1A (0.57) ADRA1APDE4DMAPT
SCHEMBL2725876 0.70 ADRA1A (0.46) ADRA1APDE4D
SCHEMBL28209535 0.70 SOAT1 (0.78) SOAT1ALDH1A1ALOX15MAPTKDM4E
SCHEMBL8050522 0.68 ADRA1A (0.77) ADRA1APDE4DALDH1A1KMT2AMEN1

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-B1 1,3-DITHIOL-2-YLIDENE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1992-08-26 EP disclosed