SCHEMBL24675646

SCHEMBL24675646

CC(N)c1ccc(OCCCCCOCCCOCC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 5/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.45
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 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
SCHEMBL25823398 1.00 PLA2G4B (0.48) PLA2G4BMMP9MMP8MMP13TSHR
SCHEMBL24675644 1.00 PLA2G4B (0.48) PLA2G4BMMP9MMP8MMP13TSHR
SCHEMBL24675241 0.87 PPARD (0.42) PLA2G4BMMP9MMP8MMP13POLB
SCHEMBL24675242 0.87 PPARD (0.42) PLA2G4BMMP9MMP8MMP13POLB
SCHEMBL25823404 0.87 PPARD (0.42) PLA2G4BMMP9MMP8MMP13POLB
SCHEMBL24675711 0.86 PLA2G4B (0.52) PLA2G4BMMP9MMP8MMP13POLB
SCHEMBL18591857 0.86 ALDH1A1 (0.51) PLA2G4BTSHRALDH1A1POLBTDP1
Hydrochloric Acid SCHEMBL30491000 0.85 PLA2G4B (0.53) PLA2G4BMMP9MMP8MMP13POLB
Hydrochloric Acid SCHEMBL30490834 0.85 PLA2G4B (0.53) PLA2G4BMMP9MMP8MMP13POLB
SCHEMBL24675626 0.85 SMN1; SMN2 (0.49) PLA2G4BALDH1A1LMNAMEN1KMT2A

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
Send feedback