SCHEMBL24675891

SCHEMBL24675891

CC(C)(C)OC(=O)CCOCCOCCOCCCCCCOc1cccc(CNC=O)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PLA2G4B P0C869 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GGPS1 O95749 2/20 0.38

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
SCHEMBL24675890 0.87 GLS (0.45) CNR1CNR2
SCHEMBL24674865 0.83 KDM4E (0.43) KDM4ECYP2D6
SCHEMBL24675197 0.83 KDM4E (0.43) KDM4ECYP2D6
SCHEMBL24675795 0.82 GLS (0.47) CNR1CNR2
SCHEMBL24675764 0.82 GLS (0.47) CNR1CNR2
SCHEMBL25250103 0.81 CYP2D6 (0.45) CNR1CNR2CYP2D6
SCHEMBL24675190 0.78 KDM4E (0.42) KDM4EMAPK1PLA2G4B
SCHEMBL25289842 0.78 GLS (0.46) CNR1CNR2
SCHEMBL30490889 0.78 GLS (0.46) CNR1CNR2
SCHEMBL30490842 0.76 GLS (0.43) CYP2D6PLA2G4B

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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