SCHEMBL25823855

SCHEMBL25823855

CN[C@@H](C)c1ccc(OCCCCCOCCCOCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 5/20 0.46
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ACACB O00763 3/20 0.41
▸ ACACA Q13085 1/20 0.41
▸ LMNA P02545 2/20 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
SCHEMBL18611816 0.87 ACACB (0.45) ALDH1A1HPGDGAAACACBACACA
SCHEMBL20133300 0.86 ACACB (0.43) ALDH1A1HPGDGAAACACBACACA
SCHEMBL20372470 0.85 ACACB (0.46) PLA2G4BHPGDACACBACACALMNA
SCHEMBL25823802 0.84 PLA2G4B (0.40) PLA2G4BPOLBALDH1A1HPGDGAA
SCHEMBL24675646 0.84 PLA2G4B (0.48) PLA2G4BPOLBALDH1A1TSHRTDP1
SCHEMBL25823398 0.84 PLA2G4B (0.48) PLA2G4BPOLBALDH1A1TSHRTDP1
SCHEMBL24675644 0.84 PLA2G4B (0.48) PLA2G4BPOLBALDH1A1TSHRTDP1
SCHEMBL18591857 0.84 ALDH1A1 (0.51) PLA2G4BPOLBALDH1A1TSHRTDP1
SCHEMBL18551111 0.80 ITGB3 (0.46) ALDH1A1TSHRHPGDGAAACACB
SCHEMBL18551103 0.80 ITGB3 (0.46) ALDH1A1TSHRHPGDGAAACACB

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
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