SCHEMBL10523396

SCHEMBL10523396

CSCC[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 5/20 0.42
▸ FNTB P49356 5/20 0.42
▸ PGGT1B P53609 4/20 0.42
▸ GNPAT O15228 1/20 0.39
▸ ENPEP Q07075 5/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ CCKBR P32239 3/20 0.37
▸ CCKAR P32238 1/20 0.37
▸ OPRD1 P41143 1/20 0.37

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
SCHEMBL10523388 1.00 FNTA (0.42) FNTAFNTBPGGT1BGNPATENPEP
SCHEMBL29363097 0.90 FNTA (0.50) FNTAFNTBPGGT1B
SCHEMBL31412197 0.89 FNTA (0.41) FNTAFNTBPGGT1BBACE1CCKBR
SCHEMBL29630743 0.88 FNTA (0.50) FNTAFNTBPGGT1BGNPAT
SCHEMBL29486967 0.86 LMNA (0.42) FNTAFNTBPGGT1BGNPATENPEP
SCHEMBL29591585 0.84 GNPAT (0.41) FNTAFNTBPGGT1BGNPATBACE1
SCHEMBL30050995 0.83 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL30997361 0.83 FNTA (0.44) FNTAFNTBPGGT1BGNPATCCKBR
SCHEMBL30590013 0.82 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL29414532 0.82 FNTA (0.56) FNTAFNTBPGGT1B

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
US-4830962-A Recombinant diphtheria toxin fragments CETUS CORPORATION (US) 1989-05-16 — — US claimed
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