SCHEMBL31129073

SCHEMBL31129073

C=CCOC(=O)CC(C(=O)N(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.40
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.36
FABP5 Q01469 3/20 0.35
FABP7 O15540 2/20 0.35
EPHX2 P34913 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23879137 1.00 CASP3 (0.40) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL24579262 1.00 CASP3 (0.40) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL30522097 1.00 CASP3 (0.40) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL24579411 1.00 CASP3 (0.40) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL30640796 1.00 CASP3 (0.40) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL24580427 0.93 CASP3 (0.35) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL30861945 0.93 CASP3 (0.35) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL24580370 0.93 CASP3 (0.35) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL24580457 0.92 CASP3 (0.36) CASP3NPSR1KMT2AFABP5FABP7
SCHEMBL24580442 0.92 CASP3 (0.36) CASP3NPSR1KMT2AFABP5FABP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143631-A Deprotection method for peptide compound or amide compound and resin removal method in solid phase reaction and method for producing peptide compound 中外制药株式会社 2024-12-17 CN claimed
CN-119143631-A Deprotection method for peptide compound or amide compound and resin removal method in solid phase reaction and method for producing peptide compound 中外制药株式会社 2024-12-17 CN disclosed
CN-113056475-B Deprotection method for peptide compound or amide compound and resin removal method in solid phase reaction and method for producing peptide compound 中外制药株式会社 2024-09-24 CN disclosed