SCHEMBL24453031

SCHEMBL24453031

O=C(OCCS(=O)(=O)O)c1ccc2c(C3CO3)cccc2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
L3MBTL1 Q9Y468 6/20 0.35
DRD3 P35462 1/20 0.35
ATM Q13315 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CSNK2A2 P19784 1/20 0.32
CLK2 P49760 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
PTPN1 P18031 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
SCHEMBL24452989 0.79 PARP1 (0.52) L3MBTL1TDP1
SCHEMBL24453030 0.78 HRH3 (0.38) HRH3DRD3
SCHEMBL24465413 0.76 STS (0.37) ATMTDP1
SCHEMBL11953044 0.75 HRH3 (0.54) HRH3DRD3TDP1PTPN1
SCHEMBL21287036 0.72 ALDH1A1 (0.44) HRH3L3MBTL1DRD3ATMTDP1
SCHEMBL21287035 0.72 MEN1 (0.47) HRH3L3MBTL1DRD3TDP1
SCHEMBL24452977 0.70 ALDH1A1 (0.52) TDP1
SCHEMBL27600533 0.70 TSHR (0.48) TDP1
SCHEMBL25527907 0.69 TDP1 (0.42) TDP1
SCHEMBL18776009 0.69 L3MBTL1 (0.50) L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160281-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-26 US disclosed