SCHEMBL30110754

SCHEMBL30110754

C[C@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 5/20 0.43
▸ LIPG Q9Y5X9 5/20 0.43
▸ ROCK1 Q13464 1/20 0.40
▸ RORC P51449 2/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ SLC6A4 P31645 4/20 0.34
▸ P4HB P07237 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL30110762 0.86 LPL (0.44) LPLLIPGRORCPRMT5SLC6A4
SCHEMBL1328329 0.84 LPL (0.45) LPLLIPGROCK1EGFRAAK1
SCHEMBL253525 0.81 LPL (0.45) LPLLIPGROCK1EGFRAAK1
SCHEMBL29556201 0.81 LPL (0.45) LPLLIPGROCK1EGFRAAK1
SCHEMBL4366318 0.79 LPL (0.47) LPLLIPGROCK1SLC6A4P4HB
SCHEMBL30111074 0.78 LPL (0.54) LPLLIPGP4HBDGAT1ESR2
SCHEMBL30110731 0.78 LPL (0.54) LPLLIPGP4HBDGAT1ESR2
SCHEMBL18582905 0.77 LPL (0.39) LPLLIPGRORCSLC6A4P4HB
SCHEMBL18582906 0.77 LPL (0.39) LPLLIPGRORCSLC6A4P4HB
SCHEMBL142144 0.76 LPL (0.49) LPLLIPGROCK1EGFRCA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124534-B Non-nucleotide PRMT5 small molecule inhibitor, preparation method and application 中山大学 2023-09-15 — — CN disclosed
CN-115124534-A Non-nucleotide PRMT5 small molecule inhibitor, preparation method and application 中山大学 2022-09-30 — — CN disclosed
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