SCHEMBL31374724

SCHEMBL31374724

CC(C)(C)C(F)(F)C(=O)OF.N[C@@H](CCCCN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 7/20 0.38
▸ PTGS2 P35354 7/20 0.38
▸ MGLL Q99685 5/20 0.36
▸ FAAH O00519 4/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.36

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
SCHEMBL31374702 0.82 SLC15A2 (0.35) PTGS1PTGS2MGLLFAAHHSP90AA1
Trifluoroacetic Acid SCHEMBL31374708 0.81 PTGS1 (0.46) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL14679245 0.81 MGLL (0.55) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL22687997 0.81 MGLL (0.55) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL31374740 0.81 AKT1 (0.43) —
Hydrochloric Acid SCHEMBL22657871 0.80 MGLL (0.53) PTGS1PTGS2MGLLFAAHHSP90AA1
Hydrochloric Acid SCHEMBL22657875 0.80 MGLL (0.53) PTGS1PTGS2MGLLFAAHHSP90AA1
Hydrochloric Acid SCHEMBL28705925 0.80 MGLL (0.53) PTGS1PTGS2MGLLFAAHHSP90AA1
SCHEMBL31374703 0.76 FOLH1 (0.34) PTGS1PTGS2
SCHEMBL31133605 0.75 PTGS1 (0.51) PTGS1PTGS2MGLLFAAHHSP90AA1

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
CN-113301920-B Complexes comprising a ligand, a spacer, a peptide linker and a biomolecule 安斯泰来制药株式会社 2025-01-14 — — CN disclosed
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