SCHEMBL30970528

SCHEMBL30970528

[2H]C([2H])(OS(=O)(=O)c1ccc(C)cc1)[C@@H]1CCCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC12A2 P55011 1/20 0.54
SLC12A5 Q9H2X9 1/20 0.54
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
ALOX12 P18054 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.44
RCE1 Q9Y256 1/20 0.44
CXCR4 P61073 1/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 2/20 0.44
NR2F2 P24468 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL283634 0.86 SLC12A2 (0.56) SLC12A2SLC12A5GAAPOLBALOX12
SCHEMBL283635 0.86 SLC12A2 (0.56) SLC12A2SLC12A5GAAPOLBALOX12
SCHEMBL2306082 0.86 SLC12A2 (0.56) SLC12A2SLC12A5GAAPOLBALOX12
SCHEMBL2929267 0.83 SLC12A2 (0.54) SLC12A2SLC12A5GAAPOLBALOX12
SCHEMBL1691084 0.82 SLC12A2 (0.52) SLC12A2SLC12A5GAAPOLBALOX12
SCHEMBL1691225 0.82 SLC12A2 (0.52) SLC12A2SLC12A5GAAPOLBALOX12
SCHEMBL284269 0.82 SLC12A2 (0.52) SLC12A2SLC12A5GAAPOLBALOX12
SCHEMBL14239450 0.80 SLC12A2 (0.50) SLC12A2SLC12A5GAAPOLBALOX12
SCHEMBL19285370 0.78 SLC12A2 (0.47) SLC12A2SLC12A5GAAPOLBALOX12
SCHEMBL19285120 0.78 SLC12A2 (0.47) SLC12A2SLC12A5GAAPOLBALOX12

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-2024140968-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD AND USE THEREFOR 广州市联瑞制药有限公司 2024-07-04 WO disclosed