SCHEMBL25823802

SCHEMBL25823802

CNC(C)c1ccc(OCCCCCOCCCOCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 3/20 0.40
▸ CA12 O43570 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ ACACB O00763 5/20 0.38
▸ ACACA Q13085 3/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL25823808 0.90 CA12 (0.41) PLA2G4BCA12CA1CA2CA9
SCHEMBL30490965 0.89 ACACB (0.43) CA12CA1CA2CA9ACACB
SCHEMBL18591858 0.86 KMT2A (0.43) PLA2G4BALDH1A1
SCHEMBL25823855 0.84 PLA2G4B (0.46) PLA2G4BPOLBACACBACACAHPGD
SCHEMBL18611816 0.82 ACACB (0.45) ACACBACACAHPGDLMNAALDH1A1
SCHEMBL20133300 0.81 ACACB (0.43) ACACBACACAHPGDLMNAALDH1A1
SCHEMBL20372470 0.80 ACACB (0.46) PLA2G4BACACBACACAHPGDLMNA
SCHEMBL18282352 0.79 CA12 (0.43) PLA2G4BCA12CA1CA2CA9
SCHEMBL18611917 0.78 ACACB (0.48) ACACBACACAHPGDLMNA
SCHEMBL28675412 0.78 PLA2G4B (0.46) PLA2G4BCA12CA1CA2CA9

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
Send feedback