SCHEMBL9521903

SCHEMBL9521903

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EGLN1 Q9GZT9 1/20 0.35
ALDH1A1 P00352 7/20 0.35
LMNA P02545 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GLO1 Q04760 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL9521601 0.90 MAPT (0.45) MAPTKMT2AMEN1KDM4EEGLN1
SCHEMBL9744895 0.79 MAPT (0.45) MAPTKMT2AMEN1KDM4EEGLN1
SCHEMBL9521690 0.78 MAPT (0.38) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL8531170 0.78 ADRA1A (0.46) MAPTKMT2AMEN1KDM4EEGLN1
SCHEMBL9521958 0.76 ADRA1A (0.34) MAPT
SCHEMBL9520606 0.76
SCHEMBL9520335 0.75 MEN1 (0.33) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9521372 0.74 ADRA1A (0.50) KMT2ASMN1; SMN2TSHR
SCHEMBL6356446 0.70 GRIK1 (0.39) MAPTKMT2AMEN1KDM4EEGLN1
SCHEMBL11616325 0.69 ADRA1A (0.49) 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