SCHEMBL29613495

SCHEMBL29613495

COC(=O)[C@H](CO)NC(=O)[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 3/20 0.47
TLR1 Q15399 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN1 P18031 4/20 0.43
GRB2 P62993 1/20 0.42
MDM2 Q00987 1/20 0.42
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
CXCR3 P49682 1/20 0.41
CBX4 O00257 1/20 0.41
CBX7 O95931 1/20 0.41
CDYL2 Q8N8U2 1/20 0.41
CBX8 Q9HC52 1/20 0.41

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
SCHEMBL29613492 1.00 TLR2 (0.47) TLR2TLR1KMT2APTPN1GRB2
SCHEMBL29613476 0.95 KMT2A (0.52) TLR2TLR1KMT2AMDM2KLK7
SCHEMBL29129048 0.94 KMT2A (0.49) TLR2TLR1KMT2APTPN1GRB2
SCHEMBL29129044 0.94 KMT2A (0.49) TLR2TLR1KMT2APTPN1GRB2
SCHEMBL13289729 0.92 TLR2 (0.48) TLR2TLR1KMT2APTPN1GRB2
SCHEMBL29613412 0.92 KLK7 (0.49) TLR2TLR1KMT2APTPN1KLK7
SCHEMBL29613446 0.90 PTPN1 (0.50) TLR2TLR1KMT2APTPN1GRB2
SCHEMBL16790462 0.89 KMT2A (0.50) TLR2TLR1KMT2AMDM2KLK7
SCHEMBL27223065 0.89 KMT2A (0.54) TLR2TLR1KMT2AMDM2KLK7
SCHEMBL27231537 0.89 KMT2A (0.54) TLR2TLR1KMT2AMDM2KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259133-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2023-10-18 EP disclosed
WO-2022126000-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2022-06-16 WO disclosed