SCHEMBL31065467

SCHEMBL31065467

COC(=O)CC(C)SC(C)CC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
HSD17B10 Q99714 2/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 3/20 0.36
RAB9A P51151 1/20 0.36
TET2 Q6N021 1/20 0.33
SLC1A1 P43005 1/20 0.33
KCNA5 P22460 1/20 0.33
RECQL P46063 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
SCHEMBL9859790 0.85 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL18339161 0.83
SCHEMBL3070649 0.83
SCHEMBL3070789 0.81
SCHEMBL8500054 0.79 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL2575624 0.79 SMN1; SMN2 (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL8500057 0.79 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL8499816 0.79 TSHR (0.46) TSHRHSD17B10MGAMGAASI
Hydrochloric Acid SCHEMBL30578737 0.79
Hydrochloric Acid SCHEMBL29029470 0.77 TSHR (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666690-A Binuclear quaternary ammonium salt ionic liquid compound and application thereof 中国药科大学 2024-09-20 CN disclosed