SCHEMBL29129167

SCHEMBL29129167

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.51
REN P00797 3/20 0.49
GRB2 P62993 1/20 0.48
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL29129170 1.00 PTPN1 (0.51) PTPN1RENGRB2TLR2TLR1
SCHEMBL29613446 0.95 PTPN1 (0.50) PTPN1RENGRB2TLR2TLR1
SCHEMBL29129048 0.91 KMT2A (0.49) PTPN1GRB2TLR2TLR1KMT2A
SCHEMBL29129044 0.91 KMT2A (0.49) PTPN1GRB2TLR2TLR1KMT2A
SCHEMBL29431191 0.91 MDM2 (0.51) PTPN1TLR2TLR1KMT2A
SCHEMBL30193403 0.91 MDM2 (0.52) PTPN1TLR2TLR1KMT2A
SCHEMBL30193389 0.91 MDM2 (0.52) PTPN1TLR2TLR1KMT2A
SCHEMBL18421240 0.91 MDM2 (0.52) PTPN1TLR2TLR1KMT2A
SCHEMBL16870002 0.91 MDM2 (0.52) PTPN1TLR2TLR1KMT2A
SCHEMBL16870156 0.91 MDM2 (0.52) PTPN1TLR2TLR1KMT2A

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