SCHEMBL24675790

SCHEMBL24675790

COC(=O)CCCCCOCCOCCOCCCCCCOc1ccc(F)c([C@@H](C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.38
▸ PDE3A Q14432 3/20 0.38
▸ P2RY12 Q9H244 3/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ HRH2 P25021 6/20 0.36
▸ HRH1 P35367 6/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ GLS O94925 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL29822868 1.00 PDE3B (0.38) PDE3BPDE3AP2RY12PPARGPPARA
SCHEMBL29823042 1.00 PDE3B (0.38) PDE3BPDE3AP2RY12PPARGPPARA
SCHEMBL25824597 0.83 ROCK1 (0.40) PPARGPPARA
SCHEMBL25824210 0.83 ROCK1 (0.40) PPARGPPARA
Hydrochloric Acid SCHEMBL29822777 0.81 PDE3B (0.42) PDE3BPDE3AP2RY12PPARGPPARA
SCHEMBL29822802 0.81 CA12 (0.41) PDE3BPDE3AP2RY12CA12CA1
SCHEMBL25824077 0.74 PDE3B (0.41) PDE3BPDE3AP2RY12PPARGPPARA
SCHEMBL28333021 0.74 PDE2A (0.45) PDE2A
SCHEMBL25829471 0.74 ROCK1 (0.41) —
SCHEMBL30490950 0.74 ROCK1 (0.41) —

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-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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