SCHEMBL31345284

SCHEMBL31345284

CCC(=O)OC(C)(C)C.CS(=O)(=O)c1ccc([C@@H](O)[C@H](N)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
ACHE P22303 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1I2 O75469 1/20 0.38
PTGS1 P23219 1/20 0.38
ADRA1A P35348 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
SLC1A2 P43004 1/20 0.35
GPR119 Q8TDV5 4/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL21791552 0.83 LMNA (0.51) GRM4ACHELMNATSHRMEN1
SCHEMBL32674587 0.83 LMNA (0.51) GRM4ACHELMNATSHRMEN1
SCHEMBL21853762 0.83 LMNA (0.51) GRM4ACHELMNATSHRMEN1
SCHEMBL9007595 0.83 LMNA (0.51) GRM4ACHELMNATSHRMEN1
SCHEMBL2065376 0.83 LMNA (0.51) GRM4ACHELMNATSHRMEN1
SCHEMBL4247092 0.83 LMNA (0.51) GRM4ACHELMNATSHRMEN1
SCHEMBL21853751 0.83 LMNA (0.51) GRM4ACHELMNATSHRMEN1
SCHEMBL4594968 0.82 LMNA (0.50) GRM4ACHELMNATSHRMEN1
SCHEMBL25588108 0.81 LMNA (0.42) GRM4LMNATSHRMEN1CYP3A4
SCHEMBL24032703 0.75 AKR1C3 (0.40) GRM4TDP1AKR1C3AKR1C2GPR119

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-119306765-A Adamantyl phosphine ligand of cinchona alkaloid skeleton, silver catalyst containing ligand and application of ligand 浙江工业大学 2025-01-14 CN disclosed