SCHEMBL29129094

SCHEMBL29129094

CC(C)(C)c1ccc(C(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N[C@@H](CO)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
TLR2 O60603 5/20 0.41
TLR1 Q15399 1/20 0.41
GLP1R P43220 8/20 0.38
TPSAB1 Q15661 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL29613403 0.93 KMT2A (0.41) KMT2ATLR2TLR1
SCHEMBL29613485 0.83 KMT2A (0.44) KMT2ATLR2TLR1TPSAB1
SCHEMBL29129114 0.82 CA2 (0.47) TLR2GLP1R
SCHEMBL26634478 0.80 GLP1R (0.47) KMT2ATLR2TLR1GLP1RMDM2
SCHEMBL27223065 0.79 KMT2A (0.54) KMT2ATLR2TLR1MDM2
SCHEMBL27231537 0.79 KMT2A (0.54) KMT2ATLR2TLR1MDM2
SCHEMBL29129144 0.79 CBX4 (0.44) GLP1R
SCHEMBL29561191 0.79 KMT2A (0.48) KMT2ATLR2GLP1RTPSAB1
SCHEMBL30139098 0.78 MDM2 (0.51) KMT2ATLR2TLR1MDM2
SCHEMBL30139099 0.78 MDM2 (0.51) KMT2ATLR2TLR1MDM2

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