SCHEMBL24675243

SCHEMBL24675243

NCc1cccc(OCCCCCCOCCOCCOCCC(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.46
FFAR1 O14842 3/20 0.46
CFD P00746 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
Hydrochloric Acid SCHEMBL25290504 0.99 PLA2G4B (0.46) PLA2G4BFFAR1CFDHDAC1HDAC2
SCHEMBL24675498 0.95 CNR1 (0.47) PLA2G4BFFAR1CFDHDAC1HDAC2
Hydrochloric Acid SCHEMBL27225814 0.94 CNR1 (0.47) PLA2G4BFFAR1CFDHDAC1HDAC2
SCHEMBL24675655 0.93 FFAR1 (0.49) PLA2G4BFFAR1CFDMAPK1L3MBTL1
SCHEMBL24675865 0.93 FFAR1 (0.49) PLA2G4BFFAR1CFDMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL25290105 0.89 FFAR1 (0.46) PLA2G4BFFAR1PPARGPPARACYSLTR2
SCHEMBL927153 0.87 FFAR1 (0.53) PLA2G4BFFAR1CFDMAPK1L3MBTL1
SCHEMBL25822896 0.87 PLA2G4B (0.49) PLA2G4BFFAR1CFDHDAC1HDAC2
SCHEMBL24674879 0.86 CNR1 (0.45) PLA2G4BHDAC1MAPK1L3MBTL1CNR1
Hydrochloric Acid SCHEMBL25250931 0.86 PLA2G4B (0.48) PLA2G4BFFAR1CFDHDAC1HDAC2

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
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-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed