SCHEMBL31157720

SCHEMBL31157720

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 3/20 0.46
GNPAT O15228 1/20 0.43
IL23R Q5VWK5 1/20 0.42
BACE1 P56817 2/20 0.41
ACE P12821 1/20 0.40
TACR3 P29371 1/20 0.40
NPY5R Q15761 4/20 0.40
NPY1R P25929 3/20 0.40
NPY4R P50391 3/20 0.40
CCKBR P32239 1/20 0.39
PTPN1 P18031 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
NPY2R P49146 1/20 0.38
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSH P09668 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
BACE2 Q9Y5Z0 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
SCHEMBL31157700 1.00 SIRT5 (0.46) SIRT5GNPATIL23RBACE1ACE
SCHEMBL31157643 0.97 SIRT5 (0.48) SIRT5IL23RBACE1NPY5RNPY1R
SCHEMBL31157638 0.94 SIRT5 (0.46) SIRT5GNPATIL23RBACE1TACR3
SCHEMBL31157671 0.94 SIRT5 (0.46) SIRT5GNPATIL23RBACE1TACR3
SCHEMBL31036875 0.94 SIRT5 (0.46) SIRT5IL23RBACE1NPY5RNPY1R
SCHEMBL12066142 0.94 SIRT5 (0.46) SIRT5IL23RBACE1NPY5RNPY1R
SCHEMBL31157655 0.94 SIRT5 (0.43) SIRT5IL23RBACE1NPY5RNPY1R
SCHEMBL30463256 0.93 SIRT5 (0.53) SIRT5GNPATIL23RTACR3NPY5R
SCHEMBL31157768 0.93 BACE1 (0.46) SIRT5GNPATIL23RBACE1NPY5R
SCHEMBL3739792 0.92 IL23R (0.45) SIRT5GNPATIL23RBACE1TACR3

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