SCHEMBL25627902

SCHEMBL25627902

CC(C)CC(NC(=O)CN)C(=O)NC(C=O)Cc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.49
FOLH1 Q04609 1/20 0.48
PSMB2 P49721 3/20 0.46
PSMB10 P40306 2/20 0.46
NPY5R Q15761 6/20 0.46
NPY1R P25929 5/20 0.46
NPY4R P50391 5/20 0.46
NPY2R P49146 3/20 0.46
IL1RN P18510 2/20 0.46
ERAP2 Q6P179 2/20 0.46
ERAP1 Q9NZ08 1/20 0.46
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
CMA1 P23946 1/20 0.43
CTRC Q99895 1/20 0.43
CTSL P07711 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
SCHEMBL13540750 0.87 CTSB (0.52) CTSBFOLH1PSMB2NPY5RNPY1R
SCHEMBL4325539 0.86 PSMB5 (0.51) CTSBFOLH1NPY5RNPY1RNPY4R
SCHEMBL4325541 0.86 PSMB5 (0.51) CTSBFOLH1NPY5RNPY1RNPY4R
SCHEMBL29361872 0.86 NPY4R (0.51) CTSBFOLH1NPY5RNPY1RNPY4R
SCHEMBL29459570 0.85 CTSB (0.46) CTSBOPRM1OPRD1
SCHEMBL29885010 0.84 GRIA1 (0.53) PSMB5
SCHEMBL21577094 0.84 SLC7A5 (0.44) CTSBOPRD1
SCHEMBL10520794 0.83 FOLH1 (0.67) FOLH1NPY5RNPY1RNPY4RNPY2R
SCHEMBL24178166 0.80 CTSB (0.56) CTSBFOLH1PSMB2PSMB5OPRM1
SCHEMBL30396564 0.80 ACE (0.63) CTSBFOLH1NPY1RNPY4RNPY2R

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-2023106897-A1 NOVEL PEPTIDE DERIVATIVE DERIVED FROM ADIPONECTIN AND USE THEREOF 서울대학교병원 2023-06-15 WO disclosed