SCHEMBL8044281

SCHEMBL8044281

O=C(O)CCc1csc(S)n1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.41
GABRB2 P47870 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC6 Q9UBN7 15/20 0.39
HDAC1 Q13547 14/20 0.39
KEAP1 Q14145 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL8055620 0.84 HDAC1 (0.37) GABRA5GABRB2HSD17B10HDAC6HDAC1
SCHEMBL2411987 0.81 HSD17B10 (0.61) GABRA5GABRB2HSD17B10
SCHEMBL8538449 0.78 MAPT (0.54)
SCHEMBL2655261 0.78 GABRA5 (0.68) GABRA5GABRB2HSD17B10HDAC6HDAC1
SCHEMBL2642866 0.76
SCHEMBL8538010 0.75 HDAC6 (0.47) GABRA5GABRB2HSD17B10HDAC6HDAC1
SCHEMBL5512924 0.74 SLC6A3 (0.47) GABRA5GABRB2HSD17B10HDAC6HDAC1
SCHEMBL8062319 0.73 HDAC1 (0.36) HSD17B10HDAC6HDAC1
SCHEMBL9749078 0.73 APEX1 (0.50) GABRA5GABRB2HSD17B10HDAC6HDAC1
SCHEMBL9749270 0.73 L3MBTL1 (0.39) GABRA5GABRB2HSD17B10HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150351-A ADMINISTERING AN EFFECTIVE AMOUNT OF THE CEPHEM COMPOUND TO A PATIENT SUFFERING FROM DISEASES CAUSED BY HELICOBACTER PYLORI FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-21 US disclosed
EP-0882052-A1 NEW CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
WO-1997029111-A1 NEW CEPHEM COMPOUNDS AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-14 WO disclosed
EP-0397048-B1 Process for the preparation of 2-mercapto-4-methyl-1,3-thiazol-5-yl acetic acid and its esters HOECHST AG (DE) 1994-08-31 EP disclosed