SCHEMBL9521695

SCHEMBL9521695

CCCOC(=O)/C(=C/O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 4/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 4/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALOX5 P09917 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL9521700 1.00 HCAR2 (0.39) HCAR2SMN1; SMN2GAAALDH1A1CA1
SCHEMBL8812190 0.80 HCAR2 (0.46) HCAR2SMN1; SMN2GAAALDH1A1CA1
SCHEMBL28740095 0.77 TSHR (0.49) HCAR2SMN1; SMN2GAAALDH1A1TSHR
SCHEMBL2977390 0.75 GAA (0.43) HCAR2SMN1; SMN2GAAALDH1A1CA1
SCHEMBL6168640 0.74
SCHEMBL6168638 0.74
SCHEMBL52704 0.74 ALDH1A1 (0.43) HCAR2SMN1; SMN2GAAALDH1A1TSHR
SCHEMBL5374026 0.74 HCAR2 (0.47) HCAR2SMN1; SMN2GAAALDH1A1TSHR
SCHEMBL138475 0.74 HCAR2 (0.48) HCAR2SMN1; SMN2GAAALDH1A1TSHR
SCHEMBL7157164 0.73 MAPT (0.38) GAAALDH1A1TSHRLMNAKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242690-B1 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
EP-0238059-B1 5H-1,3,4-Thiazole[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-16 EP disclosed
US-4985432-A 5H-1,3,4-thiadiazolo(3,2-A)pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-01-15 US disclosed
US-4971971-A FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-20 US disclosed
EP-0242690-A2 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and agricultural-horticultural fungicide composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-10-28 EP disclosed
EP-0238059-A2 5H-1,3,4-Thiazole[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-23 EP disclosed