SCHEMBL8919913

SCHEMBL8919913

COC(=O)CSCC(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
HSD17B10 Q99714 5/20 0.39
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM1A O60341 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL11056301 0.87 TSHR (0.53) TSHRHSD17B10MGAMGAASI
SCHEMBL30888816 0.85 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL5283413 0.80 TSHR (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL534516 0.80
SCHEMBL30786366 0.79
SCHEMBL19730844 0.78 CYP2D6 (0.60) TSHRHSD17B10MGAMGAASI
SCHEMBL2690145 0.78 MGAM (0.52) TSHRHSD17B10MGAMGAASI
SCHEMBL8892963 0.78 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL10788950 0.77 TSHR (0.48) TSHRHSD17B10MGAMGAASI
SCHEMBL9517329 0.77 TSHR (0.48) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed
US-4130565-A 3-ALKYL-TETRAHYDROPYRAN-OR THIOPYRAN-2,4-DIONES AS CHEMICAL INTERMEDIATES SHIONOGI & CO., LTD. (JP) 1978-12-19 US disclosed