SCHEMBL29269489

SCHEMBL29269489

CC(C)(C)OC(=O)N1CCCC(CCOc2ccc(F)c(CNC(=O)[C@H](CCc3ccccc3)NC(=O)OCc3ccccc3)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.42
P2RX7 Q99572 4/20 0.42
BCHE P06276 4/20 0.41
ACHE P22303 2/20 0.41
CACNA1F O60840 1/20 0.41
CACNA1D Q01668 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
HTR6 P50406 2/20 0.41
CTSS P25774 3/20 0.40
CTSK P43235 2/20 0.40
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TPSAB1 Q15661 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL29269492 1.00 YAP1 (0.42) YAP1P2RX7BCHEACHECACNA1F
SCHEMBL30283502 1.00 YAP1 (0.42) YAP1P2RX7BCHEACHECACNA1F
SCHEMBL29269318 0.93 BCHE (0.43) YAP1P2RX7BCHEACHECACNA1F
SCHEMBL30283202 0.93 BCHE (0.43) YAP1P2RX7BCHEACHECACNA1F
SCHEMBL29269320 0.93 BCHE (0.43) YAP1P2RX7BCHEACHECACNA1F
SCHEMBL29269481 0.92 YAP1 (0.42) YAP1P2RX7BCHEACHECACNA1F
SCHEMBL29269479 0.92 YAP1 (0.42) YAP1P2RX7BCHEACHECACNA1F
SCHEMBL30283447 0.92 YAP1 (0.42) YAP1P2RX7BCHEACHECACNA1F
SCHEMBL29269486 0.90 BCHE (0.44) YAP1P2RX7BCHEACHECACNA1F
SCHEMBL30283245 0.90 BCHE (0.44) YAP1P2RX7BCHEACHECACNA1F

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-118251383-A Macrocyclic compounds as proteasome beta subunit type 5 inhibitors 利德探索中心有限公司 2024-06-25 CN disclosed