SCHEMBL30845587

SCHEMBL30845587

CS(=O)(=O)OC1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.53
ACE2 Q9BYF1 2/20 0.52
RAB9A P51151 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KLK7 P49862 1/20 0.49
KLK5 Q9Y337 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CYP2C19 P33261 1/20 0.49
PRCP P42785 1/20 0.48
GFER P55789 1/20 0.48

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
SCHEMBL16105052 0.96 FKBP1A (0.50) PREPACE2RAB9ATSHRCYP3A4
SCHEMBL28901006 0.85 PREP (0.53) PREPACE2RAB9ATSHRCYP3A4
SCHEMBL2768429 0.85 PREP (0.60) PREPACE2RAB9ATSHRSMN1; SMN2
SCHEMBL6351728 0.83 RAB9A (0.49) PREPACE2RAB9ATSHRCYP3A4
SCHEMBL1388075 0.82 PREP (0.55) PREPACE2RAB9ATSHRCYP3A4
SCHEMBL6597133 0.82 PREP (0.52) PREPACE2RAB9ATSHRCYP3A4
SCHEMBL1873488 0.82 PREP (0.52) PREPACE2RAB9ATSHRCYP3A4
SCHEMBL7939228 0.82 PREP (0.52) PREPACE2RAB9ATSHRCYP3A4
SCHEMBL27987768 0.81 GFER (0.48) PREPACE2RAB9ATSHRCYP3A4
SCHEMBL11560321 0.81 FKBP1A (0.57) PREPACE2RAB9ASMN1; SMN2NPC1

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-114957182-B USP8 inhibitor containing flavone skeleton structure and application thereof 中国药科大学 2024-03-15 CN disclosed