SCHEMBL4755266

SCHEMBL4755266

N=C(N)NCCC[C@H](NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.46
▸ GSTK1 Q9Y2Q3 1/20 0.46
▸ FNTA P49354 3/20 0.42
▸ FNTB P49356 3/20 0.42
▸ PGGT1B P53609 2/20 0.42
▸ FOLH1 Q04609 1/20 0.40
▸ NPY4R P50391 12/20 0.38
▸ NPY1R P25929 7/20 0.38
▸ NPY2R P49146 5/20 0.38
▸ NPY5R Q15761 5/20 0.38
▸ GLO1 Q04760 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NOD1 Q9Y239 1/20 0.36

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
SCHEMBL29568701 0.94 PTGS1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL30509913 0.94 PTGS1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL30767724 0.94 PTGS1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL30509912 0.94 PTGS1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29449790 0.92 PTGS1 (0.41) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29449792 0.92 PTGS1 (0.41) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL31000882 0.92 PTGS1 (0.45) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL30943802 0.90 NOD1 (0.43) PTGS1GSTK1FOLH1NPY4RNPY1R
SCHEMBL30695170 0.89 PTGS1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29880339 0.89 NOD1 (0.44) PTGS1GSTK1FOLH1NPY4RNPY1R

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
WO-2008152475-A2 BIOCOMPATIBLE POLYMERS OF BISACRYLAMIDES AND AMINO ACIDS UNIVERSITA' DEGLI STUDI DI TORINO (IT) 2008-12-18 — — WO disclosed
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