SCHEMBL29823274

SCHEMBL29823274

COC(=O)CCCCCOCCOCCOCCCCCCOc1ccc(C(F)(F)F)c(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.40
▸ CA1 P00915 5/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA9 Q16790 5/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ PDE3B Q13370 3/20 0.38
▸ PDE3A Q14432 3/20 0.38
▸ P2RY12 Q9H244 3/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CACNA1H O95180 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ CNR2 P34972 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
SCHEMBL24675640 1.00 CA12 (0.40) CA12CA1CA2CA9EPHX2
SCHEMBL29822802 0.89 CA12 (0.41) CA12CA1CA2CA9PDK2
SCHEMBL24675514 0.89 CA12 (0.41) CA12CA1CA2CA9PDK2
SCHEMBL29822786 0.83 PDE3B (0.42) PDK2PDE3BPDE3AP2RY12PDE2A
SCHEMBL25822816 0.83 PDE3B (0.42) PDK2PDE3BPDE3AP2RY12PDE2A
SCHEMBL25289842 0.81 GLS (0.46) CA12CA1CA2CA9EPHX2
SCHEMBL30490889 0.81 GLS (0.46) CA12CA1CA2CA9EPHX2
SCHEMBL25289836 0.77 CA1 (0.49) CA12CA1CA2CA9
SCHEMBL30490969 0.76 CA12 (0.42) CA12CA1CA2CA9PDK2
SCHEMBL24675738 0.76 CA12 (0.42) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4281445-A1 DEGRADERS OF GRK2 AND USES THEREOF Sonata Therapeutics, Inc. (US) 2023-11-29 — — EP disclosed
WO-2022159688-A9 DEGRADERS OF GRK2 AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-09-21 — — WO disclosed
WO-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 — — WO disclosed
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