SCHEMBL31157653

SCHEMBL31157653

CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.56
▸ NPY4R P50391 6/20 0.44
▸ NPY5R Q15761 5/20 0.44
▸ NPY1R P25929 4/20 0.44
▸ NPY2R P49146 2/20 0.44
▸ GLP1R P43220 1/20 0.44
▸ GCGR P47871 1/20 0.44
▸ GIPR P48546 1/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ NMT2 O60551 2/20 0.43
▸ NMT1 P30419 2/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43
▸ IL23R Q5VWK5 2/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ AKT3 Q9Y243 1/20 0.42

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
SCHEMBL31157753 0.96 TLR2 (0.49) TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL20827746 0.92 NPY4R (0.50) TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL31157714 0.92 NPY5R (0.51) TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL31157731 0.88 SIRT5 (0.51) TLR2RXFP1IL23R
SCHEMBL30463240 0.88 SIRT5 (0.51) TLR2RXFP1IL23R
SCHEMBL31157691 0.88 SIRT5 (0.51) TLR2RXFP1IL23R
SCHEMBL30463245 0.88 SIRT5 (0.51) TLR2RXFP1IL23R
SCHEMBL31157710 0.87 NPY4R (0.44) TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL20827674 0.87 NPY4R (0.45) TLR2NPY4RNPY5RNPY1RNPY2R
SCHEMBL13354428 0.87 TLR2 (0.57) TLR2NPY4RNPY5RNPY1RNPY2R

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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