SCHEMBL31374703

SCHEMBL31374703

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.34
▸ RRM1 P23921 1/20 0.32
▸ PTGS1 P23219 4/20 0.30
▸ PTGS2 P35354 4/20 0.30
▸ AKT1 P31749 1/20 0.30

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
SCHEMBL31374736 0.88 FOLH1 (0.41) FOLH1PTGS1PTGS2
SCHEMBL31374702 0.85 SLC15A2 (0.35) FOLH1RRM1PTGS1PTGS2AKT1
SCHEMBL31374701 0.81 AKT1 (0.37) FOLH1PTGS1PTGS2AKT1
SCHEMBL31374733 0.77 AKT1 (0.45) AKT1
SCHEMBL31374724 0.76 PTGS1 (0.38) PTGS1PTGS2
SCHEMBL31374740 0.76 AKT1 (0.43) AKT1
SCHEMBL28620371 0.74 FOLH1 (0.41) FOLH1RRM1PTGS1PTGS2AKT1
SCHEMBL23113662 0.72 AKT1 (0.48) FOLH1PTGS1PTGS2AKT1
SCHEMBL31374711 0.70 FOLH1 (0.41) FOLH1PTGS1PTGS2
Trifluoroacetic Acid SCHEMBL23113666 0.69 SLC15A2 (0.40) FOLH1RRM1PTGS1PTGS2AKT1

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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