SCHEMBL25251532

SCHEMBL25251532

CC(C)(C)OC(=O)CCOCCOCCOCCCCCCOc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.53
▸ CA2 P00918 6/20 0.53
▸ CA12 O43570 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ SUCNR1 Q9BXA5 6/20 0.44
▸ BCHE P06276 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL25258787 0.96 CA1 (0.53) CA1CA2CA12CA9SUCNR1
SCHEMBL25297430 0.90 CA1 (0.52) CA1CA2CA12CA9SUCNR1
SCHEMBL25250315 0.89 CA1 (0.53) CA1CA2CA12CA9SUCNR1
SCHEMBL1541945 0.89 CA1 (0.64) CA1CA2CA12CA9SUCNR1
SCHEMBL25250103 0.88 CYP2D6 (0.45) CA1CA2CA12CA9BCHE
SCHEMBL25289836 0.84 CA1 (0.49) CA1CA2CA12CA9NAMPT
SCHEMBL23291379 0.83 SUCNR1 (0.54) CA1CA2CA12CA9SUCNR1
SCHEMBL23291191 0.83 SUCNR1 (0.54) CA1CA2CA12CA9SUCNR1
SCHEMBL23928228 0.83 SUCNR1 (0.54) CA1CA2CA12CA9SUCNR1
SCHEMBL23291233 0.83 SUCNR1 (0.54) CA1CA2CA12CA9SUCNR1

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
WO-2023129564-A9 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2024-02-08 — — WO disclosed
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 — — WO disclosed
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