SCHEMBL30861836

SCHEMBL30861836

CC(C)(S)[C@H](N)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ TGFBR1 P36897 3/20 0.46
▸ MME P08473 8/20 0.44
▸ ACE P12821 2/20 0.40
▸ CA2 P00918 3/20 0.36
▸ CA1 P00915 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL29527816 0.86 ACE (0.56) MAPTALDH1A1PTGS1MMEACE
SCHEMBL31074242 0.86 TGFBR1 (0.48) MAPTALDH1A1PTGS1TGFBR1MME
SCHEMBL29692973 0.85 ALDH1A1 (0.50) MAPTALDH1A1PTGS1MME
SCHEMBL29378196 0.83 ECE1 (0.51) MAPTALDH1A1PTGS1ACECA2
SCHEMBL29540010 0.82 ALDH1A1 (0.43) MAPTALDH1A1PTGS1
SCHEMBL29379421 0.81 ALDH1A1 (0.46) MAPTALDH1A1PTGS1ACECA2
SCHEMBL29683631 0.80 FOLH1 (0.50) MAPTALDH1A1PTGS1
SCHEMBL30861862 0.80 FNTA (0.48) MAPTALDH1A1PTGS1
SCHEMBL29540181 0.79 ALDH1A1 (0.43) MAPTALDH1A1PTGS1ACE
SCHEMBL31674469 0.77 ALDH1A1 (0.57) MAPTALDH1A1PTGS1MMEACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 — — CN disclosed
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 — — CN disclosed
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