SCHEMBL31360784

SCHEMBL31360784

CCON[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MME P08473 3/20 0.35
GNPAT O15228 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL16128209 0.86 SUCNR1 (0.33) CA2CA4FNTAFNTBSUCNR1
SCHEMBL6920799 0.84 GABRR1 (0.34) CA2CA4GNPAT
SCHEMBL31365972 0.84 CA2 (0.37) CA2CA4TDP1MMEGNPAT
SCHEMBL14948807 0.83 TGFBR1 (0.35) MMESMN1; SMN2
SCHEMBL28113681 0.80 FOLH1 (0.52)
SCHEMBL29599134 0.79 KDM4E (0.50) CA2MMESMN1; SMN2
SCHEMBL27813029 0.79 KDM4E (0.50) CA2MMESMN1; SMN2
SCHEMBL28371705 0.78 CA2 (0.41) CA2CA4FNTAFNTBTDP1
SCHEMBL17879530 0.78 CA2 (0.41) CA2CA4FNTAFNTBTDP1
SCHEMBL27860606 0.78 CA2 (0.44) CA2CA4TDP1MMEGNPAT

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-114630835-B Process for the preparation of peptide compounds comprising sterically bulky amino acids 中外制药株式会社 2025-02-11 CN disclosed