SCHEMBL29129073

SCHEMBL29129073

CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C(N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.51
KMT2A Q03164 1/20 0.51
NPY4R P50391 6/20 0.48
NPY1R P25929 4/20 0.48
NPY2R P49146 3/20 0.46
NPY5R Q15761 2/20 0.46

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
SCHEMBL29129069 1.00 PTPN1 (0.51) PTPN1KMT2ANPY4RNPY1RNPY2R
SCHEMBL29613441 0.94 NPY4R (0.53) PTPN1KMT2ANPY4RNPY1RNPY2R
SCHEMBL29129170 0.88 PTPN1 (0.51) PTPN1KMT2A
SCHEMBL29129167 0.88 PTPN1 (0.51) PTPN1KMT2A
SCHEMBL23286117 0.86 KMT2A (0.55) KMT2A
SCHEMBL26116354 0.85 PTPN1 (0.60) PTPN1
SCHEMBL26116349 0.85 PTPN1 (0.60) PTPN1
SCHEMBL29462661 0.85 PTPN1 (0.60) PTPN1
SCHEMBL29129039 0.85 KMT2A (0.52) PTPN1KMT2A
SCHEMBL29129046 0.85 KMT2A (0.52) PTPN1KMT2A

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
CN-117279636-A Methods and compounds for modulating myotonic muscular dystrophy type 1 设计治疗公司 2023-12-22 CN disclosed