SCHEMBL31123788

SCHEMBL31123788

C[C@]1(CC(=O)O)[C@H](COC(=O)c2ccccc2)O[C@@H](n2ccc3c(Cl)ncnc32)[C@@H]1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 16/20 0.42
WDR77 Q9BQA1 16/20 0.42
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL31123771 0.86 PRMT5 (0.42) PRMT5WDR77
SCHEMBL31123727 0.86 ADK (0.44) PRMT5WDR77LMNAALDH1A1
SCHEMBL31123769 0.86 PRMT5 (0.40) PRMT5WDR77
SCHEMBL20733586 0.83 PRMT5 (0.61) PRMT5WDR77
SCHEMBL31123856 0.82 ALDH1A1 (0.36) ALDH1A1
SCHEMBL20738551 0.80 PRMT5 (0.43) PRMT5WDR77LMNAALDH1A1
SCHEMBL20721480 0.80 PRMT5 (0.43) PRMT5WDR77LMNAALDH1A1
SCHEMBL29392290 0.80 PRMT5 (0.43) PRMT5WDR77LMNAALDH1A1
SCHEMBL25109992 0.78 PRMT5 (0.41) PRMT5WDR77LMNAALDH1A1
SCHEMBL30003625 0.78 PRMT5 (0.41) PRMT5WDR77LMNAALDH1A1

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-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed