SCHEMBL25822896

SCHEMBL25822896

NCc1cccc(OCCCCCOCCCOCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 3/20 0.49
PPARG P37231 3/20 0.49
PPARA Q07869 2/20 0.49
CFD P00746 1/20 0.44
PLAU P00749 1/20 0.43
PPARD Q03181 2/20 0.42
FFAR1 O14842 1/20 0.42
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
LMNA P02545 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 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
Hydrochloric Acid SCHEMBL25250931 0.99 PLA2G4B (0.48) PLA2G4BPPARGPPARACFDPLAU
Hydrochloric Acid SCHEMBL25292291 0.89 PPARA (0.52) PLA2G4BPPARGPPARAPPARDFFAR1
SCHEMBL24675498 0.87 CNR1 (0.47) PLA2G4BPPARACFDFFAR1HDAC1
SCHEMBL24675243 0.87 PLA2G4B (0.46) PLA2G4BPPARGPPARACFDFFAR1
SCHEMBL25823611 0.87 POLB (0.56) PLA2G4BPPARGPPARAPOLB
SCHEMBL24675917 0.86 PLA2G4B (0.48) PLA2G4BFFAR1HDAC1HDAC2CYP4F2
SCHEMBL24675114 0.86 PLA2G4B (0.44) PLA2G4BPPARGPPARAPOLB
Hydrochloric Acid SCHEMBL25298667 0.86 PPARA (0.52) PLA2G4BPPARGPPARA
Hydrochloric Acid SCHEMBL25290504 0.86 PLA2G4B (0.46) PLA2G4BPPARGPPARACFDFFAR1
Hydrochloric Acid SCHEMBL27225814 0.86 CNR1 (0.47) PLA2G4BPPARACFDFFAR1HDAC1

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