SCHEMBL24675711

SCHEMBL24675711

C[C@@H](N)c1ccc(OCCCCCCOCCOCCOCCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 4/20 0.52
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ S1PR1 P21453 3/20 0.46
▸ S1PR3 Q99500 3/20 0.46
▸ LMNA P02545 1/20 0.45
▸ S1PR4 O95977 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ GAA P10253 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
Hydrochloric Acid SCHEMBL30491000 0.93 PLA2G4B (0.53) PLA2G4BMMP9MMP8MMP13L3MBTL1
Hydrochloric Acid SCHEMBL30490834 0.93 PLA2G4B (0.53) PLA2G4BMMP9MMP8MMP13L3MBTL1
SCHEMBL24675229 0.87 LMNA (0.41) PLA2G4BMMP9MMP8MMP13L3MBTL1
SCHEMBL25823398 0.86 PLA2G4B (0.48) PLA2G4BMMP9MMP8MMP13L3MBTL1
SCHEMBL24675644 0.86 PLA2G4B (0.48) PLA2G4BMMP9MMP8MMP13L3MBTL1
SCHEMBL24675646 0.86 PLA2G4B (0.48) PLA2G4BMMP9MMP8MMP13L3MBTL1
SCHEMBL24675240 0.85 CYSLTR2 (0.54) PLA2G4BLMNAMEN1KMT2A
SCHEMBL24675703 0.84 HPGD (0.43) PLA2G4BMMP9MMP8MMP13S1PR1
SCHEMBL24675709 0.84 HPGD (0.43) PLA2G4BMMP9MMP8MMP13S1PR1
SCHEMBL25829810 0.83 PLA2G4B (0.49) PLA2G4BMMP9MMP8MMP13L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022159688-A9 DEGRADERS OF GRK2 AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-09-21 — — WO disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 — — WO disclosed
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