SCHEMBL25823996

SCHEMBL25823996

COC(=O)CCCCCOCCOCCOCCCCCCOc1cccc(CN)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
P2RY12 Q9H244 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.42
HDAC2 Q92769 1/20 0.42
CYP2D6 P10635 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
LTA4H P09960 1/20 0.41
PLA2G4B P0C869 1/20 0.41
LTB4R Q15722 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
SCHEMBL24675766 1.00 CNR1 (0.47) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL24675794 1.00 CNR1 (0.47) CNR1CNR2KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL25249852 0.99 CNR1 (0.47) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL24674879 0.95 CNR1 (0.45) CNR1CNR2KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL25256065 0.94 CNR1 (0.44) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL4832834 0.94 LOXL2 (0.49) CNR1CNR2KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL4935323 0.92 LOXL2 (0.48) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL4843336 0.90 LOXL2 (0.50) KDM4EALDH1A1GAALOXL2PDE3B
Hydrochloric Acid SCHEMBL25298334 0.90 CNR1 (0.50) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL24675114 0.88 PLA2G4B (0.44) CNR1CNR2KDM4EALDH1A1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023129564-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2023-07-06 WO disclosed