SCHEMBL29129083

SCHEMBL29129083

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(C=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 6/20 0.56
CBX7 O95931 4/20 0.56
CBX8 Q9HC52 4/20 0.56
CBX4 O00257 3/20 0.56
CBX6 O95503 1/20 0.49
CBX2 Q14781 1/20 0.49
OPRK1 P41145 8/20 0.43
PSMB5 P28074 2/20 0.40
PSMB2 P49721 2/20 0.40
FURIN P09958 1/20 0.40
OPRM1 P35372 2/20 0.40
PSMB8 P28062 1/20 0.39
PSMB10 P40306 1/20 0.39

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
SCHEMBL27231642 0.85 CDYL2 (0.52) CDYL2CBX7CBX8CBX4CBX6
SCHEMBL29129077 0.84 CDYL2 (0.70) CDYL2CBX7CBX8CBX4CBX6
SCHEMBL29129080 0.84 CDYL2 (0.70) CDYL2CBX7CBX8CBX4CBX6
SCHEMBL27232082 0.81 CDYL2 (0.53) CDYL2CBX7CBX8CBX4CBX6
SCHEMBL29613457 0.79 CDYL2 (0.79) CDYL2CBX7CBX8CBX4CBX6
SCHEMBL24510644 0.77 CDYL2 (0.72) CDYL2CBX7CBX8CBX4CBX6
SCHEMBL29613443 0.77 CDYL2 (0.70) CDYL2CBX7CBX8CBX4CBX6
SCHEMBL24510752 0.76 CDYL2 (0.78) CDYL2CBX7CBX8CBX4CBX6
SCHEMBL23815561 0.76 CDYL2 (0.78) CDYL2CBX7CBX8CBX4CBX6
SCHEMBL31528272 0.75 OPRK1 (0.61) OPRK1OPRM1

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