SCHEMBL31157728

SCHEMBL31157728

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.50
IL23R Q5VWK5 5/20 0.47
GNPAT O15228 1/20 0.43
TACR3 P29371 1/20 0.42
CCKBR P32239 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
EIF4E P06730 1/20 0.39
EIF4EBP1 Q13541 1/20 0.39
TFPI P10646 1/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY4R P50391 1/20 0.38
NPY5R Q15761 1/20 0.38
BMP1 P13497 1/20 0.38
CTSL P07711 1/20 0.38
CTSH P09668 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ESR1 P03372 1/20 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
SCHEMBL30463259 1.00 SIRT5 (0.50) SIRT5IL23RGNPATTACR3CCKBR
SCHEMBL30168003 1.00 SIRT5 (0.50) SIRT5IL23RGNPATTACR3CCKBR
SCHEMBL30168002 1.00 SIRT5 (0.50) SIRT5IL23RGNPATTACR3CCKBR
SCHEMBL31157730 1.00 SIRT5 (0.50) SIRT5IL23RGNPATTACR3CCKBR
SCHEMBL30463265 0.99 SIRT5 (0.51) SIRT5IL23RGNPATTACR3CCKBR
SCHEMBL30168009 0.99 SIRT5 (0.51) SIRT5IL23RGNPATTACR3CCKBR
SCHEMBL31157632 0.98 SIRT5 (0.48) SIRT5IL23RGNPATTACR3CCKBR
SCHEMBL30463262 0.98 SIRT5 (0.48) SIRT5IL23RGNPATTACR3CCKBR
SCHEMBL30998021 0.97 SIRT5 (0.53) SIRT5IL23RGNPATTACR3RXFP1
SCHEMBL31157760 0.97 SIRT5 (0.53) SIRT5IL23RGNPATTACR3RXFP1

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