SCHEMBL24675738

SCHEMBL24675738

CC(C)(C)OC(=O)COCCCOCCCCCOc1ccc(F)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.42
▸ CA1 P00915 5/20 0.42
▸ CA2 P00918 5/20 0.42
▸ CA9 Q16790 5/20 0.42
▸ PDK2 Q15119 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.37
▸ PSEN1 P49768 2/20 0.36
▸ PSEN2 P49810 2/20 0.36
▸ APH1B Q8WW43 2/20 0.36
▸ NCSTN Q92542 2/20 0.36
▸ APH1A Q96BI3 2/20 0.36
▸ PSENEN Q9NZ42 2/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GLS O94925 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ ITK Q08881 1/20 0.34

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
SCHEMBL30490969 1.00 CA12 (0.42) CA12CA1CA2CA9PDK2
SCHEMBL24675514 0.87 CA12 (0.41) CA12CA1CA2CA9PDK2
SCHEMBL29822802 0.87 CA12 (0.41) CA12CA1CA2CA9PDK2
SCHEMBL24675647 0.83 CA12 (0.49) CA12CA1CA2CA9FAAH
SCHEMBL25249150 0.82 GLS (0.43) CA12CA1CA2CA9GLS
SCHEMBL30490842 0.82 GLS (0.43) CA12CA1CA2CA9GLS
SCHEMBL25250315 0.77 CA1 (0.53) CA12CA1CA2CA9BCHE
SCHEMBL25290050 0.76 CYP2D6 (0.45) CA12CA1CA2CA9CNR2
SCHEMBL24675640 0.76 CA12 (0.40) CA12CA1CA2CA9PDK2
SCHEMBL29823274 0.76 CA12 (0.40) CA12CA1CA2CA9PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023129564-A9 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2024-02-08 — — WO disclosed
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-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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