SCHEMBL31332455

SCHEMBL31332455

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.47
▸ GSTK1 Q9Y2Q3 1/20 0.47
▸ ACE P12821 1/20 0.42
▸ OPRD1 P41143 6/20 0.42
▸ OPRM1 P35372 4/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ MME P08473 3/20 0.41
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ PGGT1B P53609 1/20 0.38

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
SCHEMBL30644299 0.89 PTGS1 (0.52) PTGS1GSTK1ACEOPRD1OPRM1
SCHEMBL29815598 0.88 PTGS1 (0.49) PTGS1GSTK1ACEOPRD1OPRM1
SCHEMBL30471792 0.87 OPRD1 (0.52) OPRD1OPRM1OPRK1MMEMAPT
SCHEMBL31461857 0.87 PTGS1 (0.45) PTGS1GSTK1OPRD1OPRM1OPRK1
SCHEMBL29746739 0.86 ACE (0.45) PTGS1GSTK1ACEOPRD1OPRM1
SCHEMBL29387981 0.86 PTGS1 (0.47) PTGS1GSTK1ACEOPRD1OPRM1
SCHEMBL30392483 0.84 MME (0.44) PTGS1GSTK1ACEOPRD1OPRM1
SCHEMBL29939666 0.82 ACE (0.50) ACEMMEMAPTKDM4ETHRB
SCHEMBL30905702 0.81 PTGS1 (0.64) PTGS1GSTK1ACEOPRD1OPRM1
SCHEMBL29700057 0.81 MME (0.54) OPRD1OPRM1OPRK1MMEMAPT

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-119529033-A Ultra-long-acting polypeptide for NPR-B targeting and application thereof in skeletal system diseases 中山大学 2025-02-28 — — CN disclosed
CN-119529033-A Ultra-long-acting polypeptide for NPR-B targeting and application thereof in skeletal system diseases 中山大学 2025-02-28 — — CN disclosed
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