SCHEMBL21550136

SCHEMBL21550136

CC(Cc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)[SH](=O)=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.34
LIPG Q9Y5X9 5/20 0.34
ESR2 Q92731 1/20 0.34
F11 P03951 1/20 0.33
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33
UCHL1 P09936 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL16971348 0.79 LPL (0.45) LPLLIPGESR2F11ANPEP
SCHEMBL16971971 0.79 LPL (0.45) LPLLIPGESR2F11ANPEP
SCHEMBL20157282 0.74 LIPG (0.37) LPLLIPGESR2F11UCHL1
SCHEMBL20157773 0.73 F11 (0.40) LPLLIPGESR2F11ANPEP
SCHEMBL21550138 0.72 LPL (0.39) LPLLIPGESR2F11UCHL1
SCHEMBL21550113 0.72 CA12 (0.36) HIF1A
SCHEMBL16972228 0.70 ALDH1A1 (0.42) LPLLIPGESR2F11ANPEP
SCHEMBL16971653 0.70 ALDH1A1 (0.42) LPLLIPGESR2F11ANPEP
SCHEMBL28601719 0.69 LPL (0.36) LPLLIPGF11
SCHEMBL24252766 0.68 LPL (0.47) LPLLIPGESR2F11

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
WO-2019214399-A1 BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF 罗欣药业(上海)有限公司 (CN) 2019-11-14 WO disclosed