SCHEMBL9521601

SCHEMBL9521601

CCOC(=O)C(C(=O)OCC)=C1SCS1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 2/20 0.34
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL9521903 0.90 MAPT (0.42) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9744895 0.88 MAPT (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9521690 0.83 MAPT (0.38) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL11616325 0.77 ADRA1A (0.49) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10933052 0.76 MAPT (0.38) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9621031 0.75 ADRA1A (0.55) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL11618325 0.74 MAPT (0.46) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL10994606 0.73 MAPT (0.51) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL9524421 0.73 ADRA1A (0.41) MAPT
SCHEMBL11618729 0.72 ALDH1A1 (0.36) MAPTKMT2AMEN1KDM4EALDH1A1

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