SCHEMBL31157752

SCHEMBL31157752

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 2/20 0.40
▸ NPY4R P50391 7/20 0.40
▸ NPY1R P25929 5/20 0.40
▸ NPY2R P49146 4/20 0.40
▸ NPY5R Q15761 4/20 0.40
▸ FNTA P49354 2/20 0.39
▸ FNTB P49356 2/20 0.39
▸ PGGT1B P53609 1/20 0.39
▸ CTSD P07339 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ KEAP1 Q14145 2/20 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
SCHEMBL31157668 0.94 NPY4R (0.41) NPY4RNPY1RNPY2RNPY5RFNTA
SCHEMBL31157748 0.93 IL23R (0.45) IL23RBACE1KEAP1
SCHEMBL31157769 0.91 FNTA (0.47) NPY4RNPY1RNPY2RNPY5RFNTA
SCHEMBL30440766 0.91 FNTA (0.47) NPY4RNPY1RNPY2RNPY5RFNTA
SCHEMBL30173918 0.91 FNTA (0.47) NPY4RNPY1RNPY2RNPY5RFNTA
SCHEMBL31157766 0.91 FNTA (0.47) NPY4RNPY1RNPY2RNPY5RFNTA
SCHEMBL31157626 0.90 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RFNTA
SCHEMBL29694429 0.90 NPY4R (0.42) NPY4RNPY1RNPY2RNPY5RFNTA
SCHEMBL20827629 0.89 NPY4R (0.45) IL23RNPY4RNPY1RNPY2RNPY5R
SCHEMBL31279096 0.89 NPY4R (0.45) IL23RNPY4RNPY1RNPY2RNPY5R

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
EP-3548510-B1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES LUBRIZOL ADVANCED MAT INC (US) 2024-10-02 — — EP disclosed
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